CID 456396

141497-12-3

Structural Information

Molecular Formula
C9H16N4O3
SMILES
C1C[C@H](N(C1)C(=O)CN)C(=O)NCC(=O)N
InChI
InChI=1S/C9H16N4O3/c10-4-8(15)13-3-1-2-6(13)9(16)12-5-7(11)14/h6H,1-5,10H2,(H2,11,14)(H,12,16)/t6-/m0/s1
InChIKey
JWWLMJFURJYNEX-LURJTMIESA-N
Compound name
(2S)-1-(2-aminoacetyl)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

270
Patents

228.12224 Da
Monoisotopic Mass

-3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12952 151.5
[M+Na]+ 251.11146 154.9
[M-H]- 227.11496 152.3
[M+NH4]+ 246.15606 167.9
[M+K]+ 267.08540 154.2
[M+H-H2O]+ 211.11950 143.8
[M+HCOO]- 273.12044 172.5
[M+CH3COO]- 287.13609 195.0
[M+Na-2H]- 249.09691 150.3
[M]+ 228.12169 145.8
[M]- 228.12279 145.8
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