CID 3013627

49864-48-4

Structural Information

Molecular Formula
C7H13N3O2
SMILES
C1C[C@H](NC1)C(=O)NCC(=O)N
InChI
InChI=1S/C7H13N3O2/c8-6(11)4-10-7(12)5-2-1-3-9-5/h5,9H,1-4H2,(H2,8,11)(H,10,12)/t5-/m0/s1
InChIKey
MZKZJHTZJCEFKZ-YFKPBYRVSA-N
Compound name
(2S)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

178
Patents

171.10077 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.10805 138.0
[M+Na]+ 194.08999 141.8
[M-H]- 170.09349 137.7
[M+NH4]+ 189.13459 156.5
[M+K]+ 210.06393 140.5
[M+H-H2O]+ 154.09803 131.0
[M+HCOO]- 216.09897 158.3
[M+CH3COO]- 230.11462 178.8
[M+Na-2H]- 192.07544 139.6
[M]+ 171.10022 131.0
[M]- 171.10132 131.0
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