CID 6426709

L-prolylglycine

Structural Information

Molecular Formula
C7H12N2O3
SMILES
C1C[C@H](NC1)C(=O)NCC(=O)O
InChI
InChI=1S/C7H12N2O3/c10-6(11)4-9-7(12)5-2-1-3-8-5/h5,8H,1-4H2,(H,9,12)(H,10,11)/t5-/m0/s1
InChIKey
RNKSNIBMTUYWSH-YFKPBYRVSA-N
Compound name
2-[[(2S)-pyrrolidine-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

96
References

8599
Patents

172.0848 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.09208 137.8
[M+Na]+ 195.07402 142.0
[M-H]- 171.07752 136.6
[M+NH4]+ 190.11862 156.2
[M+K]+ 211.04796 140.6
[M+H-H2O]+ 155.08206 131.5
[M+HCOO]- 217.08300 156.5
[M+CH3COO]- 231.09865 173.9
[M+Na-2H]- 193.05947 139.6
[M]+ 172.08425 132.2
[M]- 172.08535 132.2
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

No patent data available for this compound.