CID 11159326

87514-66-7

Structural Information

Molecular Formula
C8H12O
SMILES
CC(=O)CC1CC=CC1
InChI
InChI=1S/C8H12O/c1-7(9)6-8-4-2-3-5-8/h2-3,8H,4-6H2,1H3
InChIKey
JRONMXYZUYUUJB-UHFFFAOYSA-N
Compound name
1-cyclopent-3-en-1-ylpropan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

124.08881 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.096086 126.5
[M+Na]+ 147.078028 133.3
[M-H]- 123.081534 129.9
[M+NH4]+ 142.122633 150.4
[M+K]+ 163.051968 132.5
[M+H-H2O]+ 107.086070 121.6
[M+HCOO]- 169.087011 150.1
[M+CH3COO]- 183.102661 170.8
[M+Na-2H]- 145.063476 130.7
[M]+ 124.08826142 125.4
[M]- 124.08935858 125.4
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.