CID 192925

16112-10-0

Structural Information

Molecular Formula
C7H10O
SMILES
CC(=O)C1=CCCC1
InChI
InChI=1S/C7H10O/c1-6(8)7-4-2-3-5-7/h4H,2-3,5H2,1H3
InChIKey
SLNPSLWTEUJUGY-UHFFFAOYSA-N
Compound name
1-(cyclopenten-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

913
Patents

110.073166 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 111.08044 121.8
[M+Na]+ 133.06238 129.0
[M-H]- 109.06589 125.3
[M+NH4]+ 128.10699 146.2
[M+K]+ 149.03632 128.5
[M+H-H2O]+ 93.070426 117.0
[M+HCOO]- 155.07137 145.7
[M+CH3COO]- 169.08702 167.8
[M+Na-2H]- 131.04783 126.5
[M]+ 110.07262 120.3
[M]- 110.07371 120.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe