PubChemLite - Borneol (C10H18O)

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

C[C@@]12CC[C@@H](C1(C)C)C[C@@H]2O

InChI

InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3/t7-,8+,10+/m1/s1

InChIKey

DTGKSKDOIYIVQL-WEDXCCLWSA-N

Compound name

(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	155.14305	135.5
[M+Na]+	177.12499	144.6
[M-H]-	153.12849	137.7
[M+NH4]+	172.16959	165.6
[M+K]+	193.09893	141.8
[M+H-H2O]+	137.13303	133.4
[M+HCOO]-	199.13397	155.2
[M+CH3COO]-	213.14962	175.6
[M+Na-2H]-	175.11044	140.1
[M]+	154.13522	134.6
[M]-	154.13632	134.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

155.14305

135.5

[M+Na]+

177.12499

144.6

[M-H]-

153.12849

137.7

[M+NH4]+

172.16959

165.6

[M+K]+

193.09893

141.8

[M+H-H2O]+

137.13303

133.4

[M+HCOO]-

199.13397

155.2

[M+CH3COO]-

213.14962

175.6

[M+Na-2H]-

175.11044

140.1

[M]+

154.13522

134.6

[M]-

154.13632

134.6

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Borneol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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