CID 7943

Dimethyl malonate

Structural Information

Molecular Formula
C5H8O4
SMILES
COC(=O)CC(=O)OC
InChI
InChI=1S/C5H8O4/c1-8-4(6)3-5(7)9-2/h3H2,1-2H3
InChIKey
BEPAFCGSDWSTEL-UHFFFAOYSA-N
Compound name
dimethyl propanedioate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

143
References

37168
Patents

132.04225 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.04953 123.1
[M+Na]+ 155.03147 131.1
[M-H]- 131.03497 123.9
[M+NH4]+ 150.07607 145.2
[M+K]+ 171.00541 132.8
[M+H-H2O]+ 115.03951 118.8
[M+HCOO]- 177.04045 146.8
[M+CH3COO]- 191.05610 170.6
[M+Na-2H]- 153.01692 128.5
[M]+ 132.04170 127.1
[M]- 132.04280 127.1
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

No patent data available for this compound.