CID 5278242

Chembl18424

Structural Information

Molecular Formula
C13H25N3O3
SMILES
CC(C)N(C(C)C)C(=O)N1C[C@@H]([C@@H](C1)NC)C(=O)O
InChI
InChI=1S/C13H25N3O3/c1-8(2)16(9(3)4)13(19)15-6-10(12(17)18)11(7-15)14-5/h8-11,14H,6-7H2,1-5H3,(H,17,18)/t10-,11+/m0/s1
InChIKey
WHXIVDULNBCGMY-WDEREUQCSA-N
Compound name
(3S,4S)-1-[di(propan-2-yl)carbamoyl]-4-(methylamino)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

271.1896 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.196876 167.2
[M+Na]+ 294.178818 170.1
[M-H]- 270.182324 169.0
[M+NH4]+ 289.223423 183.3
[M+K]+ 310.152758 170.8
[M+H-H2O]+ 254.186860 160.3
[M+HCOO]- 316.187801 185.1
[M+CH3COO]- 330.203451 206.8
[M+Na-2H]- 292.164266 162.7
[M]+ 271.18905142 165.8
[M]- 271.19014858 165.8
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.