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

2
Annotation Hits: 0
References: 1392
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]+	155.143046	135.7
[M+Na]+	177.124988	141.2
[M-H]-	153.128494	137.6
[M+NH4]+	172.169593	156.5
[M+K]+	193.098928	139.3
[M+H-H2O]+	137.133030	131.1
[M+HCOO]-	199.133971	153.5
[M+CH3COO]-	213.149621	176.4
[M+Na-2H]-	175.110436	137.4
[M]+	154.13522142	130.6
[M]-	154.13631858	130.6

Literature stripe

literature stripe

Patent stripe

patents stripe