CID 53943099

2-methylene-3-methylsuccinate(2-)

Structural Information

Molecular Formula
C6H8O4
SMILES
C[C@H](C(=C)C(=O)O)C(=O)O
InChI
InChI=1S/C6H8O4/c1-3(5(7)8)4(2)6(9)10/h4H,1H2,2H3,(H,7,8)(H,9,10)/t4-/m1/s1
InChIKey
IZFHMLDRUVYBGK-SCSAIBSYSA-N
Compound name
(2R)-2-methyl-3-methylidenebutanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

2680
Patents

144.04225 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.04953 127.6
[M+Na]+ 167.03147 133.9
[M-H]- 143.03497 125.4
[M+NH4]+ 162.07607 147.3
[M+K]+ 183.00541 133.8
[M+H-H2O]+ 127.03951 123.6
[M+HCOO]- 189.04045 146.0
[M+CH3COO]- 203.05610 170.8
[M+Na-2H]- 165.01692 128.7
[M]+ 144.04170 126.2
[M]- 144.04280 126.2
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

No patent data available for this compound.