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: 534639
Patents: 86.03678 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	87.044056	113.5
[M+Na]+	109.025998	121.3
[M-H]-	85.029504	113.0
[M+NH4]+	104.070603	136.6
[M+K]+	124.999938	121.4
[M+H-H2O]+	69.034040	110.0
[M+HCOO]-	131.034981	135.4
[M+CH3COO]-	145.050631	162.2
[M+Na-2H]-	107.011446	118.8
[M]+	86.03623142	112.3
[M]-	86.03732858	112.3

Literature stripe

literature stripe

Patent stripe

patents stripe