CID 14036470

39747-65-4

Structural Information

Molecular Formula
C12H18N2O7
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C12H18N2O7/c1-12(2,3)20-11(19)13-7(6-15)10(18)21-14-8(16)4-5-9(14)17/h7,15H,4-6H2,1-3H3,(H,13,19)/t7-/m0/s1
InChIKey
GDEYGBZNQMBETA-ZETCQYMHSA-N
Compound name
(2,5-dioxopyrrolidin-1-yl) (2S)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

302.1114 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.118676 164.3
[M+Na]+ 325.100618 168.9
[M-H]- 301.104124 165.0
[M+NH4]+ 320.145223 178.6
[M+K]+ 341.074558 169.7
[M+H-H2O]+ 285.108660 158.5
[M+HCOO]- 347.109601 181.6
[M+CH3COO]- 361.125251 200.5
[M+Na-2H]- 323.086066 164.0
[M]+ 302.11085142 166.4
[M]- 302.11194858 166.4
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