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: 21
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	125.6
[M+Na]+	153.05221	132.6
[M-H]-	129.05571	123.6
[M+NH4]+	148.09681	146.3
[M+K]+	169.02615	132.1
[M+H-H2O]+	113.06025	122.4
[M+HCOO]-	175.06119	144.0
[M+CH3COO]-	189.07684	167.9
[M+Na-2H]-	151.03766	130.0
[M]+	130.06244	124.3
[M]-	130.06354	124.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe