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

2
Patents

172.0848 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 137.5
[M+Na]+ 195.07402 142.2
[M-H]- 171.07752 137.8
[M+NH4]+ 190.11862 156.7
[M+K]+ 211.04796 141.7
[M+H-H2O]+ 155.08206 131.0
[M+HCOO]- 217.08300 157.7
[M+CH3COO]- 231.09865 175.7
[M+Na-2H]- 193.05947 139.8
[M]+ 172.08425 133.7
[M]- 172.08535 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