CID 12688322

84819-91-0

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(C(=C)C(=O)OC)C(=O)OC
InChI
InChI=1S/C8H12O4/c1-5(7(9)11-3)6(2)8(10)12-4/h6H,1H2,2-4H3
InChIKey
KXNLSTIZFSBQOW-UHFFFAOYSA-N
Compound name
dimethyl 2-methyl-3-methylidenebutanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

172.07356 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.2
[M+Na]+ 195.06278 141.8
[M-H]- 171.06628 135.6
[M+NH4]+ 190.10738 155.4
[M+K]+ 211.03672 143.0
[M+H-H2O]+ 155.07082 130.6
[M+HCOO]- 217.07176 156.1
[M+CH3COO]- 231.08741 180.6
[M+Na-2H]- 193.04823 136.5
[M]+ 172.07301 138.3
[M]- 172.07411 138.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.