CID 12431727

17891-10-0

Structural Information

Molecular Formula

C₆H₁₀O₃

SMILES

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

InChI

InChI=1S/C6H10O3/c1-4(2)6(3,9)5(7)8/h9H,1H2,2-3H3,(H,7,8)

InChIKey

KXXIUSPPIOSKAZ-UHFFFAOYSA-N

Compound name

2-hydroxy-2,3-dimethylbut-3-enoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 130.06299 Da
Monoisotopic Mass: 0.8
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]+	131.07027	126.9
[M+Na]+	153.05221	135.0
[M+NH4]+	148.09681	132.8
[M+K]+	169.02615	133.0
[M-H]-	129.05571	123.3
[M+Na-2H]-	151.03766	128.3
[M]+	130.06244	126.6
[M]-	130.06354	126.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe