CID 13178396

50715-50-9

Structural Information

Molecular Formula
C17H26N2O8
SMILES
CC(C)(C)OC(=O)C[C@@H](C(=O)ON1C(=O)CCC1=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C17H26N2O8/c1-16(2,3)25-13(22)9-10(18-15(24)26-17(4,5)6)14(23)27-19-11(20)7-8-12(19)21/h10H,7-9H2,1-6H3,(H,18,24)/t10-/m0/s1
InChIKey
PIITZDSTZQZNQH-JTQLQIEISA-N
Compound name
4-O-tert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

173
Patents

386.1689 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.17618 183.9
[M+Na]+ 409.15812 187.2
[M-H]- 385.16162 185.7
[M+NH4]+ 404.20272 195.5
[M+K]+ 425.13206 189.2
[M+H-H2O]+ 369.16616 178.5
[M+HCOO]- 431.16710 199.1
[M+CH3COO]- 445.18275 219.0
[M+Na-2H]- 407.14357 182.9
[M]+ 386.16835 189.3
[M]- 386.16945 189.3
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

patents stripe