CID 92793

Pulegol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

CC1CCC(=C(C)C)C(C1)O

InChI

InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h8,10-11H,4-6H2,1-3H3

InChIKey

JGVWYJDASSSGEK-UHFFFAOYSA-N

Compound name

5-methyl-2-propan-2-ylidenecyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1357
Patents: 154.13577 Da
Monoisotopic Mass: 2.4
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	135.7
[M+Na]+	177.12499	141.2
[M-H]-	153.12849	137.6
[M+NH4]+	172.16959	156.5
[M+K]+	193.09893	139.3
[M+H-H2O]+	137.13303	131.1
[M+HCOO]-	199.13397	153.5
[M+CH3COO]-	213.14962	176.4
[M+Na-2H]-	175.11044	137.4
[M]+	154.13522	130.6
[M]-	154.13632	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.