CID 307938

2-[(pyrrolidine-1-carbonyl)amino]acetic acid

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1CCN(C1)C(=O)NCC(=O)O
InChI
InChI=1S/C7H12N2O3/c10-6(11)5-8-7(12)9-3-1-2-4-9/h1-5H2,(H,8,12)(H,10,11)
InChIKey
XEFADMITQSJCKI-UHFFFAOYSA-N
Compound name
2-(pyrrolidine-1-carbonylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

172.0848 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 137.5
[M+Na]+ 195.074018 142.2
[M-H]- 171.077524 137.8
[M+NH4]+ 190.118623 156.7
[M+K]+ 211.047958 141.7
[M+H-H2O]+ 155.082060 131.0
[M+HCOO]- 217.083001 157.7
[M+CH3COO]- 231.098651 175.7
[M+Na-2H]- 193.059466 139.8
[M]+ 172.08425142 133.7
[M]- 172.08534858 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe