CID 100126

Succinimido (s)-2-[(tert-butoxycarbonyl)amino]propionate

Structural Information

Molecular Formula
C12H18N2O6
SMILES
CC(C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H18N2O6/c1-7(13-11(18)19-12(2,3)4)10(17)20-14-8(15)5-6-9(14)16/h7H,5-6H2,1-4H3,(H,13,18)
InChIKey
COMUWNFVTWKSDT-UHFFFAOYSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

77
Patents

286.1165 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.123776 161.7
[M+Na]+ 309.105718 167.0
[M-H]- 285.109224 163.8
[M+NH4]+ 304.150323 177.5
[M+K]+ 325.079658 167.9
[M+H-H2O]+ 269.113760 155.9
[M+HCOO]- 331.114701 180.4
[M+CH3COO]- 345.130351 200.5
[M+Na-2H]- 307.091166 161.5
[M]+ 286.11595142 164.2
[M]- 286.11704858 164.2
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