CID 11902903

36301-96-9

Structural Information

Molecular Formula
C10H17N3O4
SMILES
C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)N
InChI
InChI=1S/C10H17N3O4/c1-6(11)10(17)13-4-2-3-7(13)9(16)12-5-8(14)15/h6-7H,2-5,11H2,1H3,(H,12,16)(H,14,15)/t6-,7-/m0/s1
InChIKey
UGTHTQWIQKEDEH-BQBZGAKWSA-N
Compound name
2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

23888
Patents

243.1219 Da
Monoisotopic Mass

-3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.129176 155.9
[M+Na]+ 266.111118 159.0
[M-H]- 242.114624 155.8
[M+NH4]+ 261.155723 171.6
[M+K]+ 282.085058 158.7
[M+H-H2O]+ 226.119160 148.9
[M+HCOO]- 288.120101 174.0
[M+CH3COO]- 302.135751 194.1
[M+Na-2H]- 264.096566 153.3
[M]+ 243.12135142 151.3
[M]- 243.12244858 151.3
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