CID 53914457

Pentanedioic acid 2,5-dioxo-pyrrolidin-1-yl ester methyl ester

Structural Information

Molecular Formula
C10H13NO6
SMILES
COC(=O)CCCC(=O)ON1C(=O)CCC1=O
InChI
InChI=1S/C10H13NO6/c1-16-9(14)3-2-4-10(15)17-11-7(12)5-6-8(11)13/h2-6H2,1H3
InChIKey
VGVQMVBXFLYTSS-UHFFFAOYSA-N
Compound name
5-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

243.07428 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.08156 149.2
[M+Na]+ 266.06350 156.2
[M-H]- 242.06700 151.3
[M+NH4]+ 261.10810 166.9
[M+K]+ 282.03744 156.3
[M+H-H2O]+ 226.07154 143.1
[M+HCOO]- 288.07248 170.1
[M+CH3COO]- 302.08813 189.5
[M+Na-2H]- 264.04895 149.5
[M]+ 243.07373 153.1
[M]- 243.07483 153.1
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