CID 3080768

Gly-pro-glu

Structural Information

Molecular Formula
C12H19N3O6
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C12H19N3O6/c13-6-9(16)15-5-1-2-8(15)11(19)14-7(12(20)21)3-4-10(17)18/h7-8H,1-6,13H2,(H,14,19)(H,17,18)(H,20,21)/t7-,8-/m0/s1
InChIKey
JJGBXTYGTKWGAT-YUMQZZPRSA-N
Compound name
(2S)-2-[[(2S)-1-(2-aminoacetyl)pyrrolidine-2-carbonyl]amino]pentanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

45
References

14900
Patents

301.12738 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13466 168.1
[M+Na]+ 324.11660 169.1
[M+NH4]+ 319.16120 169.2
[M+K]+ 340.09054 172.3
[M-H]- 300.12010 163.1
[M+Na-2H]- 322.10205 164.6
[M]+ 301.12683 165.5
[M]- 301.12793 165.5
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