CID 92574

56922-88-4

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC(C)C(=O)C1=CCCCC1

InChI

InChI=1S/C10H16O/c1-8(2)10(11)9-6-4-3-5-7-9/h6,8H,3-5,7H2,1-2H3

InChIKey

CZUHTUVRLZFIGP-UHFFFAOYSA-N

Compound name

1-(cyclohexen-1-yl)-2-methylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 152.12012 Da
Monoisotopic Mass: 2.9
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	134.5
[M+Na]+	175.109338	139.2
[M-H]-	151.112844	137.4
[M+NH4]+	170.153943	155.3
[M+K]+	191.083278	138.4
[M+H-H2O]+	135.117380	129.0
[M+HCOO]-	197.118321	154.2
[M+CH3COO]-	211.133971	178.0
[M+Na-2H]-	173.094786	137.7
[M]+	152.11957142	131.3
[M]-	152.12066858	131.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe