CID 97051

14379-76-1

Structural Information

Molecular Formula
C9H15N3O4
SMILES
C1C[C@H](N(C1)C(=O)CNC(=O)CN)C(=O)O
InChI
InChI=1S/C9H15N3O4/c10-4-7(13)11-5-8(14)12-3-1-2-6(12)9(15)16/h6H,1-5,10H2,(H,11,13)(H,15,16)/t6-/m0/s1
InChIKey
BUEFQXUHTUZXHR-LURJTMIESA-N
Compound name
(2S)-1-[2-[(2-aminoacetyl)amino]acetyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

25634
Patents

229.10626 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.113536 151.0
[M+Na]+ 252.095478 154.7
[M-H]- 228.098984 150.9
[M+NH4]+ 247.140083 167.3
[M+K]+ 268.069418 154.1
[M+H-H2O]+ 212.103520 144.0
[M+HCOO]- 274.104461 170.4
[M+CH3COO]- 288.120111 190.0
[M+Na-2H]- 250.080926 150.0
[M]+ 229.10571142 146.6
[M]- 229.10680858 146.6
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