CID 5278232

Chembl3220180

Structural Information

Molecular Formula
C12H23N3O3
SMILES
CC(C)N(C(C)C)C(=O)N1C[C@@H]([C@@H](C1)N)C(=O)O
InChI
InChI=1S/C12H23N3O3/c1-7(2)15(8(3)4)12(18)14-5-9(11(16)17)10(13)6-14/h7-10H,5-6,13H2,1-4H3,(H,16,17)/t9-,10+/m0/s1
InChIKey
CZTJOICKHOKDTE-VHSXEESVSA-N
Compound name
(3S,4S)-4-amino-1-[di(propan-2-yl)carbamoyl]pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

257.17395 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.18123 163.1
[M+Na]+ 280.16317 166.4
[M-H]- 256.16667 164.6
[M+NH4]+ 275.20777 179.5
[M+K]+ 296.13711 167.1
[M+H-H2O]+ 240.17121 156.4
[M+HCOO]- 302.17215 180.7
[M+CH3COO]- 316.18780 203.3
[M+Na-2H]- 278.14862 158.0
[M]+ 257.17340 160.3
[M]- 257.17450 160.3
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.