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

116
Patents

229.05864 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.06592 144.6
[M+Na]+ 252.04786 152.0
[M-H]- 228.05136 146.8
[M+NH4]+ 247.09246 162.9
[M+K]+ 268.02180 152.4
[M+H-H2O]+ 212.05590 138.6
[M+HCOO]- 274.05684 165.8
[M+CH3COO]- 288.07249 186.5
[M+Na-2H]- 250.03331 145.4
[M]+ 229.05809 148.1
[M]- 229.05919 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