CID 5354266

Diallyl maleate

Structural Information

Molecular Formula
C10H12O4
SMILES
C=CCOC(=O)/C=C\C(=O)OCC=C
InChI
InChI=1S/C10H12O4/c1-3-7-13-9(11)5-6-10(12)14-8-4-2/h3-6H,1-2,7-8H2/b6-5-
InChIKey
ZPOLOEWJWXZUSP-WAYWQWQTSA-N
Compound name
bis(prop-2-enyl) (Z)-but-2-enedioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

44521
Patents

196.07356 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.08084 141.7
[M+Na]+ 219.06278 148.5
[M-H]- 195.06628 141.7
[M+NH4]+ 214.10738 161.0
[M+K]+ 235.03672 147.1
[M+H-H2O]+ 179.07082 136.7
[M+HCOO]- 241.07176 164.3
[M+CH3COO]- 255.08741 182.3
[M+Na-2H]- 217.04823 144.5
[M]+ 196.07301 145.4
[M]- 196.07411 145.4
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