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

8639
Patents

172.0848 Da
Monoisotopic Mass

-3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.092076 137.8
[M+Na]+ 195.074018 142.0
[M-H]- 171.077524 136.6
[M+NH4]+ 190.118623 156.2
[M+K]+ 211.047958 140.6
[M+H-H2O]+ 155.082060 131.5
[M+HCOO]- 217.083001 156.5
[M+CH3COO]- 231.098651 173.9
[M+Na-2H]- 193.059466 139.6
[M]+ 172.08425142 132.2
[M]- 172.08534858 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

literature stripe

Patent stripe

patents stripe