CID 12122615

3-methyl-2-methylidenebutanoic acid

Structural Information

Molecular Formula

C₆H₁₀O₂

SMILES

CC(C)C(=C)C(=O)O

InChI

InChI=1S/C6H10O2/c1-4(2)5(3)6(7)8/h4H,3H2,1-2H3,(H,7,8)

InChIKey

MBRVKEJIEFZNST-UHFFFAOYSA-N

Compound name

3-methyl-2-methylidenebutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 5346
Patents: 114.06808 Da
Monoisotopic Mass: 1.5
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]+	115.07536	122.8
[M+Na]+	137.05730	129.6
[M-H]-	113.06080	122.0
[M+NH4]+	132.10190	144.7
[M+K]+	153.03124	129.6
[M+H-H2O]+	97.065340	119.0
[M+HCOO]-	159.06628	143.0
[M+CH3COO]-	173.08193	169.2
[M+Na-2H]-	135.04275	125.7
[M]+	114.06753	121.7
[M]-	114.06863	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe