CID 44281634

114200-31-6

Structural Information

Molecular Formula
C11H18N4O3
SMILES
C1C[C@H](NC1)C(=O)N[C@@H]2CCN(C2=O)CC(=O)N
InChI
InChI=1S/C11H18N4O3/c12-9(16)6-15-5-3-8(11(15)18)14-10(17)7-2-1-4-13-7/h7-8,13H,1-6H2,(H2,12,16)(H,14,17)/t7-,8+/m0/s1
InChIKey
QXHVGEXNEZRSGG-JGVFFNPUSA-N
Compound name
(2S)-N-[(3R)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

117
Patents

254.1379 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.145176 158.4
[M+Na]+ 277.127118 161.4
[M-H]- 253.130624 160.2
[M+NH4]+ 272.171723 173.9
[M+K]+ 293.101058 159.4
[M+H-H2O]+ 237.135160 150.4
[M+HCOO]- 299.136101 176.0
[M+CH3COO]- 313.151751 194.4
[M+Na-2H]- 275.112566 155.3
[M]+ 254.13735142 150.6
[M]- 254.13844858 150.6
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