CID 131750782

Prolyl-gamma-glutamate

Structural Information

Molecular Formula
C10H17N3O4
SMILES
C1CC(NC1)C(=O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C10H17N3O4/c11-6(10(16)17)3-4-8(14)13-9(15)7-2-1-5-12-7/h6-7,12H,1-5,11H2,(H,16,17)(H,13,14,15)
InChIKey
FSGFZJVYAZKWHO-UHFFFAOYSA-N
Compound name
2-amino-5-oxo-5-(pyrrolidine-2-carbonylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.1219 Da
Monoisotopic Mass

-3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.12918 156.5
[M+Na]+ 266.11112 158.1
[M-H]- 242.11462 154.5
[M+NH4]+ 261.15572 171.0
[M+K]+ 282.08506 157.0
[M+H-H2O]+ 226.11916 149.2
[M+HCOO]- 288.12010 173.0
[M+CH3COO]- 302.13575 190.5
[M+Na-2H]- 264.09657 153.9
[M]+ 243.12135 149.5
[M]- 243.12245 149.5
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.