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]+ 303.11868 164.3
[M+Na]+ 325.10062 168.9
[M-H]- 301.10412 165.0
[M+NH4]+ 320.14522 178.6
[M+K]+ 341.07456 169.7
[M+H-H2O]+ 285.10866 158.5
[M+HCOO]- 347.10960 181.6
[M+CH3COO]- 361.12525 200.5
[M+Na-2H]- 323.08607 164.0
[M]+ 302.11085 166.4
[M]- 302.11195 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