CID 93917

Dimethyl formylsuccinate

Structural Information

Molecular Formula
C7H10O5
SMILES
COC(=O)CC(C=O)C(=O)OC
InChI
InChI=1S/C7H10O5/c1-11-6(9)3-5(4-8)7(10)12-2/h4-5H,3H2,1-2H3
InChIKey
RYFFRHSMYJVFER-UHFFFAOYSA-N
Compound name
dimethyl 2-formylbutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

80
Patents

174.05283 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.06011 133.4
[M+Na]+ 197.04205 140.5
[M-H]- 173.04555 133.9
[M+NH4]+ 192.08665 153.5
[M+K]+ 213.01599 142.0
[M+H-H2O]+ 157.05009 128.6
[M+HCOO]- 219.05103 155.8
[M+CH3COO]- 233.06668 178.7
[M+Na-2H]- 195.02750 136.5
[M]+ 174.05228 138.2
[M]- 174.05338 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe