CID 71757801

1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1C(CN(C1=O)CCN)C(=O)O
InChI
InChI=1S/C7H12N2O3/c8-1-2-9-4-5(7(11)12)3-6(9)10/h5H,1-4,8H2,(H,11,12)
InChIKey
DSIPVHWYFBXSRV-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-5-oxopyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.0848 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 136.1
[M+Na]+ 195.07402 142.8
[M-H]- 171.07752 136.5
[M+NH4]+ 190.11862 155.6
[M+K]+ 211.04796 141.5
[M+H-H2O]+ 155.08206 130.2
[M+HCOO]- 217.08300 156.7
[M+CH3COO]- 231.09865 178.0
[M+Na-2H]- 193.05947 137.3
[M]+ 172.08425 132.9
[M]- 172.08535 132.9
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

No patent data available for this compound.