CID 556626

2-(2-methyl-2-propenyl)-2-cyclohexen-1-one

Structural Information

Molecular Formula
C10H14O
SMILES
CC(=C)CC1=CCCCC1=O
InChI
InChI=1S/C10H14O/c1-8(2)7-9-5-3-4-6-10(9)11/h5H,1,3-4,6-7H2,2H3
InChIKey
VTWMIJUSLDSTQJ-UHFFFAOYSA-N
Compound name
2-(2-methylprop-2-enyl)cyclohex-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.10446 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 131.9
[M+Na]+ 173.093678 138.1
[M-H]- 149.097184 135.1
[M+NH4]+ 168.138283 153.1
[M+K]+ 189.067618 136.3
[M+H-H2O]+ 133.101720 126.7
[M+HCOO]- 195.102661 152.9
[M+CH3COO]- 209.118311 177.3
[M+Na-2H]- 171.079126 135.8
[M]+ 150.10391142 129.1
[M]- 150.10500858 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.