CID 157400355

2628280-48-6

Structural Information

Molecular Formula
C7H13N3O2
SMILES
C1CNC(=O)[C@@H]1C[C@@H](C(=O)N)N
InChI
InChI=1S/C7H13N3O2/c8-5(6(9)11)3-4-1-2-10-7(4)12/h4-5H,1-3,8H2,(H2,9,11)(H,10,12)/t4-,5-/m0/s1
InChIKey
GZXSWPJYQCXXED-WHFBIAKZSA-N
Compound name
(2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

89
Patents

171.10077 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 138.0
[M+Na]+ 194.08999 142.7
[M-H]- 170.09349 137.5
[M+NH4]+ 189.13459 156.5
[M+K]+ 210.06393 141.0
[M+H-H2O]+ 154.09803 131.4
[M+HCOO]- 216.09897 157.7
[M+CH3COO]- 230.11462 180.2
[M+Na-2H]- 192.07544 137.9
[M]+ 171.10022 130.5
[M]- 171.10132 130.5
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