CID 5278229

Chembl3220177

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CCN(CC)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C10H19N3O3/c1-3-12(4-2)10(16)13-5-7(9(14)15)8(11)6-13/h7-8H,3-6,11H2,1-2H3,(H,14,15)/t7-,8+/m0/s1
InChIKey
OFFZJNNHEYMLGF-JGVFFNPUSA-N
Compound name
(3S,4S)-4-amino-1-(diethylcarbamoyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

229.14264 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.14992 153.9
[M+Na]+ 252.13186 158.5
[M-H]- 228.13536 155.4
[M+NH4]+ 247.17646 171.5
[M+K]+ 268.10580 158.4
[M+H-H2O]+ 212.13990 147.0
[M+HCOO]- 274.14084 174.0
[M+CH3COO]- 288.15649 195.3
[M+Na-2H]- 250.11731 152.1
[M]+ 229.14209 151.5
[M]- 229.14319 151.5
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

No patent data available for this compound.