CID 15406

Fenchol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1(C2CCC(C2)(C1O)C)C

InChI

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

InChIKey

IAIHUHQCLTYTSF-UHFFFAOYSA-N

Compound name

1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 36
References: 7616
Patents: 154.13577 Da
Monoisotopic Mass: 2.5
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]+	155.143046	135.5
[M+Na]+	177.124988	144.6
[M-H]-	153.128494	137.7
[M+NH4]+	172.169593	165.6
[M+K]+	193.098928	141.8
[M+H-H2O]+	137.133030	133.4
[M+HCOO]-	199.133971	155.2
[M+CH3COO]-	213.149621	175.6
[M+Na-2H]-	175.110436	140.1
[M]+	154.13522142	134.6
[M]-	154.13631858	134.6

Literature stripe

literature stripe

Patent stripe

patents stripe