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]+ 272.19688 167.2
[M+Na]+ 294.17882 170.1
[M-H]- 270.18232 169.0
[M+NH4]+ 289.22342 183.3
[M+K]+ 310.15276 170.8
[M+H-H2O]+ 254.18686 160.3
[M+HCOO]- 316.18780 185.1
[M+CH3COO]- 330.20345 206.8
[M+Na-2H]- 292.16427 162.7
[M]+ 271.18905 165.8
[M]- 271.19015 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.