CID 84351

3-cyclopenten-1-one

Structural Information

Molecular Formula
C5H6O
SMILES
C1C=CCC1=O
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1-2H,3-4H2
InChIKey
KQAVUGAZLAPNJY-UHFFFAOYSA-N
Compound name
cyclopent-3-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5363
Patents

82.04186 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 111.8
[M+Na]+ 105.031078 120.1
[M-H]- 81.034584 115.6
[M+NH4]+ 100.075683 137.4
[M+K]+ 121.005018 119.7
[M+H-H2O]+ 65.039120 107.3
[M+HCOO]- 127.040061 137.4
[M+CH3COO]- 141.055711 160.9
[M+Na-2H]- 103.016526 119.0
[M]+ 82.04131142 110.2
[M]- 82.04240858 110.2
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