CID 10128

2-pinanol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2CCC(C1C2)(C)O)C

InChI

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

InChIKey

YYWZKGZIIKPPJZ-UHFFFAOYSA-N

Compound name

2,6,6-trimethylbicyclo[3.1.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 1693
Patents: 154.13577 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

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	147.7
[M+Na]+	177.12499	154.3
[M-H]-	153.12849	146.5
[M+NH4]+	172.16959	170.2
[M+K]+	193.09893	154.5
[M+H-H2O]+	137.13303	140.9
[M+HCOO]-	199.13397	159.6
[M+CH3COO]-	213.14962	184.1
[M+Na-2H]-	175.11044	157.3
[M]+	154.13522	158.3
[M]-	154.13632	158.3

Literature stripe

literature stripe

Patent stripe

patents stripe