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]+ 173.092076 136.1
[M+Na]+ 195.074018 142.8
[M-H]- 171.077524 136.5
[M+NH4]+ 190.118623 155.6
[M+K]+ 211.047958 141.5
[M+H-H2O]+ 155.082060 130.2
[M+HCOO]- 217.083001 156.7
[M+CH3COO]- 231.098651 178.0
[M+Na-2H]- 193.059466 137.3
[M]+ 172.08425142 132.9
[M]- 172.08534858 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.