CID 13588

2-cyclopenten-1-one

Structural Information

Molecular Formula
C5H6O
SMILES
C1CC(=O)C=C1
InChI
InChI=1S/C5H6O/c6-5-3-1-2-4-5/h1,3H,2,4H2
InChIKey
BZKFMUIJRXWWQK-UHFFFAOYSA-N
Compound name
cyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

376
References

14206
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]+ 105.03108 120.1
[M-H]- 81.034584 115.6
[M+NH4]+ 100.07568 137.4
[M+K]+ 121.00502 119.7
[M+H-H2O]+ 65.039120 107.3
[M+HCOO]- 127.04006 137.4
[M+CH3COO]- 141.05571 160.9
[M+Na-2H]- 103.01653 119.0
[M]+ 82.041311 110.2
[M]- 82.042409 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