CID 521267

2-methyl-5-(propan-2-yl)cyclohex-2-en-1-one

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1=CCC(CC1=O)C(C)C

InChI

InChI=1S/C10H16O/c1-7(2)9-5-4-8(3)10(11)6-9/h4,7,9H,5-6H2,1-3H3

InChIKey

WPGPCDVQHXOMQP-UHFFFAOYSA-N

Compound name

2-methyl-5-propan-2-ylcyclohex-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 4
References: 1268
Patents: 152.12012 Da
Monoisotopic Mass: 2.5
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]+	153.127396	132.3
[M+Na]+	175.109338	139.2
[M-H]-	151.112844	136.0
[M+NH4]+	170.153943	154.0
[M+K]+	191.083278	138.1
[M+H-H2O]+	135.117380	127.4
[M+HCOO]-	197.118321	153.2
[M+CH3COO]-	211.133971	179.4
[M+Na-2H]-	173.094786	135.6
[M]+	152.11957142	130.7
[M]-	152.12066858	130.7

Literature stripe

literature stripe

Patent stripe

patents stripe