CID 13894665

5-amino-3,4-dihydro-2h-pyrrole-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H8N2O2
SMILES
C1CC(=NC1C(=O)O)N
InChI
InChI=1S/C5H8N2O2/c6-4-2-1-3(7-4)5(8)9/h3H,1-2H2,(H2,6,7)(H,8,9)
InChIKey
QQZIRAVAHFONDV-UHFFFAOYSA-N
Compound name
5-amino-3,4-dihydro-2H-pyrrole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

128.05858 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.06586 124.0
[M+Na]+ 151.04780 131.5
[M-H]- 127.05130 124.8
[M+NH4]+ 146.09240 145.2
[M+K]+ 167.02174 130.5
[M+H-H2O]+ 111.05584 118.2
[M+HCOO]- 173.05678 146.3
[M+CH3COO]- 187.07243 169.0
[M+Na-2H]- 149.03325 127.8
[M]+ 128.05803 120.4
[M]- 128.05913 120.4
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