CID 90770

Dimethyl methoxymethylenemalonate

Structural Information

Molecular Formula
C7H10O5
SMILES
COC=C(C(=O)OC)C(=O)OC
InChI
InChI=1S/C7H10O5/c1-10-4-5(6(8)11-2)7(9)12-3/h4H,1-3H3
InChIKey
RHFZTBSULNJWEI-UHFFFAOYSA-N
Compound name
dimethyl 2-(methoxymethylidene)propanedioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

757
Patents

174.05283 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.060106 133.6
[M+Na]+ 197.042048 140.8
[M-H]- 173.045554 134.1
[M+NH4]+ 192.086653 153.8
[M+K]+ 213.015988 142.3
[M+H-H2O]+ 157.050090 128.8
[M+HCOO]- 219.051031 156.0
[M+CH3COO]- 233.066681 178.1
[M+Na-2H]- 195.027496 136.7
[M]+ 174.05228142 138.4
[M]- 174.05337858 138.4
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