CID 3032309

Dimethylmaleic acid

Structural Information

Molecular Formula
C6H8O4
SMILES
C/C(=C(\C)/C(=O)O)/C(=O)O
InChI
InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h1-2H3,(H,7,8)(H,9,10)/b4-3-
InChIKey
CGBYBGVMDAPUIH-ARJAWSKDSA-N
Compound name
(Z)-2,3-dimethylbut-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

10152
Patents

144.04225 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 127.8
[M+Na]+ 167.03147 134.2
[M-H]- 143.03497 125.6
[M+NH4]+ 162.07607 147.5
[M+K]+ 183.00541 134.1
[M+H-H2O]+ 127.03951 123.8
[M+HCOO]- 189.04045 146.2
[M+CH3COO]- 203.05610 170.1
[M+Na-2H]- 165.01692 128.9
[M]+ 144.04170 126.3
[M]- 144.04280 126.3
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