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
5
Annotation Hits

143
References

31804
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 124.9
[M+Na]+ 155.03147 134.2
[M+NH4]+ 150.07607 131.4
[M+K]+ 171.00541 131.1
[M-H]- 131.03497 122.6
[M+Na-2H]- 153.01692 127.5
[M]+ 132.04170 125.1
[M]- 132.04280 125.1
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