CID 24585

Isopulegol

Structural Information

Molecular Formula

C₁₀H₁₈O

SMILES

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

InChI

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

InChIKey

ZYTMANIQRDEHIO-UHFFFAOYSA-N

Compound name

5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 71
References: 15136
Patents: 154.13577 Da
Monoisotopic Mass: 3.0
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	136.0
[M+Na]+	177.12499	146.5
[M+NH4]+	172.16959	144.6
[M+K]+	193.09893	140.7
[M-H]-	153.12849	137.5
[M+Na-2H]-	175.11044	139.9
[M]+	154.13522	137.7
[M]-	154.13632	137.7

Literature stripe

literature stripe

Patent stripe

patents stripe