CID 9994149

134997-43-6

Structural Information

Molecular Formula
C13H22N2O5
SMILES
CC(C)(C)OC(=O)N[C@@H](CC(=O)N1CCCC1)C(=O)O
InChI
InChI=1S/C13H22N2O5/c1-13(2,3)20-12(19)14-9(11(17)18)8-10(16)15-6-4-5-7-15/h9H,4-8H2,1-3H3,(H,14,19)(H,17,18)/t9-/m0/s1
InChIKey
JSBQGPFBEMYONN-VIFPVBQESA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-pyrrolidin-1-ylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

286.15286 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.160136 167.5
[M+Na]+ 309.142078 169.7
[M-H]- 285.145584 167.4
[M+NH4]+ 304.186683 182.0
[M+K]+ 325.116018 170.1
[M+H-H2O]+ 269.150120 161.1
[M+HCOO]- 331.151061 182.9
[M+CH3COO]- 345.166711 198.1
[M+Na-2H]- 307.127526 166.0
[M]+ 286.15231142 166.3
[M]- 286.15340858 166.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe