CID 5278231

(3s,4s)-4-amino-1-[isopropyl(methyl)carbamoyl]pyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C10H19N3O3
SMILES
CC(C)N(C)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C10H19N3O3/c1-6(2)12(3)10(16)13-4-7(9(14)15)8(11)5-13/h6-8H,4-5,11H2,1-3H3,(H,14,15)/t7-,8+/m0/s1
InChIKey
NGXNCYYHDQFKPL-JGVFFNPUSA-N
Compound name
(3S,4S)-4-amino-1-[methyl(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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 154.1
[M+Na]+ 252.13186 158.4
[M-H]- 228.13536 155.7
[M+NH4]+ 247.17646 171.6
[M+K]+ 268.10580 158.9
[M+H-H2O]+ 212.13990 147.4
[M+HCOO]- 274.14084 173.2
[M+CH3COO]- 288.15649 196.3
[M+Na-2H]- 250.11731 151.1
[M]+ 229.14209 151.0
[M]- 229.14319 151.0
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

No patent data available for this compound.