CID 34645

Isopulegone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

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

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8-9H,1,4-6H2,2-3H3

InChIKey

RMIANEGNSBUGDJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 188
References: 404
Patents: 152.12012 Da
Monoisotopic Mass: 2.8
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]+	153.12740	134.8
[M+Na]+	175.10934	145.9
[M+NH4]+	170.15394	143.5
[M+K]+	191.08328	139.7
[M-H]-	151.11284	136.6
[M+Na-2H]-	173.09479	139.1
[M]+	152.11957	136.7
[M]-	152.12067	136.7

Literature stripe

literature stripe

Patent stripe

patents stripe