CID 442495

Pulegone

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

C[C@@H]1CCC(=C(C)C)C(=O)C1

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)6-10(9)11/h8H,4-6H2,1-3H3/t8-/m1/s1

InChIKey

NZGWDASTMWDZIW-MRVPVSSYSA-N

Compound name

(5R)-5-methyl-2-propan-2-ylidenecyclohexan-1-one

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 292
References: 9876
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	134.9
[M+Na]+	175.10934	146.1
[M+NH4]+	170.15394	143.7
[M+K]+	191.08328	139.8
[M-H]-	151.11284	136.7
[M+Na-2H]-	173.09479	139.3
[M]+	152.11957	136.8
[M]-	152.12067	136.8

Literature stripe

literature stripe

Patent stripe

patents stripe