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]+ 125.09609 126.5
[M+Na]+ 147.07803 133.3
[M-H]- 123.08153 129.9
[M+NH4]+ 142.12263 150.4
[M+K]+ 163.05197 132.5
[M+H-H2O]+ 107.08607 121.6
[M+HCOO]- 169.08701 150.1
[M+CH3COO]- 183.10266 170.8
[M+Na-2H]- 145.06348 130.7
[M]+ 124.08826 125.4
[M]- 124.08936 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.