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
1
Annotation Hits

0
References

262
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 113.4
[M+Na]+ 105.03108 124.8
[M+NH4]+ 100.07568 123.1
[M+K]+ 121.00502 120.5
[M-H]- 81.034584 115.1
[M+Na-2H]- 103.01653 119.8
[M]+ 82.041311 115.3
[M]- 82.042409 115.3
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