CID 4093

Methacrylic acid

Structural Information

Molecular Formula
C4H6O2
SMILES
CC(=C)C(=O)O
InChI
InChI=1S/C4H6O2/c1-3(2)4(5)6/h1H2,2H3,(H,5,6)
InChIKey
CERQOIWHTDAKMF-UHFFFAOYSA-N
Compound name
2-methylprop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
10
Annotation Hits

17980
References

522627
Patents

86.03678 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 87.044056 113.5
[M+Na]+ 109.02600 121.3
[M-H]- 85.029504 113.0
[M+NH4]+ 104.07060 136.6
[M+K]+ 124.99994 121.4
[M+H-H2O]+ 69.034040 110.0
[M+HCOO]- 131.03498 135.4
[M+CH3COO]- 145.05063 162.2
[M+Na-2H]- 107.01145 118.8
[M]+ 86.036231 112.3
[M]- 86.037329 112.3
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.