CID 13798889

52787-46-9

Structural Information

Molecular Formula
C9H11NO6
SMILES
COC(=O)CCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C9H11NO6/c1-15-8(13)4-5-9(14)16-10-6(11)2-3-7(10)12/h2-5H2,1H3
InChIKey
ZNPQKDWJWFACAI-UHFFFAOYSA-N
Compound name
4-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl butanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

229.05864 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.065916 144.6
[M+Na]+ 252.047858 152.0
[M-H]- 228.051364 146.8
[M+NH4]+ 247.092463 162.9
[M+K]+ 268.021798 152.4
[M+H-H2O]+ 212.055900 138.6
[M+HCOO]- 274.056841 165.8
[M+CH3COO]- 288.072491 186.5
[M+Na-2H]- 250.033306 145.4
[M]+ 229.05809142 148.1
[M]- 229.05918858 148.1
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