CID 11073376

2-amino-3-hydroxycyclopent-2-enone

Structural Information

Molecular Formula
C5H7NO2
SMILES
C1CC(=O)C(=C1O)N
InChI
InChI=1S/C5H7NO2/c6-5-3(7)1-2-4(5)8/h7H,1-2,6H2
InChIKey
BNEMVGOLRDWNEG-UHFFFAOYSA-N
Compound name
2-amino-3-hydroxycyclopent-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

45
Patents

113.047676 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.054952 118.7
[M+Na]+ 136.036894 127.5
[M-H]- 112.040400 121.2
[M+NH4]+ 131.081499 142.3
[M+K]+ 152.010834 126.0
[M+H-H2O]+ 96.044936 114.3
[M+HCOO]- 158.045877 143.3
[M+CH3COO]- 172.061527 166.6
[M+Na-2H]- 134.022342 123.3
[M]+ 113.04712742 115.6
[M]- 113.04822458 115.6
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