CID 130672542

Refchem:473133

Structural Information

Molecular Formula

C₆H₁₂O₄

SMILES

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

InChI

InChI=1S/C6H12O4/c1-6(2,10-3)4(7)5(8)9/h4,7H,1-3H3,(H,8,9)

InChIKey

CMBQALWOFYHBPZ-UHFFFAOYSA-N

Compound name

2-hydroxy-3-methoxy-3-methylbutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 148.07356 Da
Monoisotopic Mass: -0.4
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]+	149.08084	130.0
[M+Na]+	171.06278	136.6
[M-H]-	147.06628	127.9
[M+NH4]+	166.10738	150.0
[M+K]+	187.03672	137.2
[M+H-H2O]+	131.07082	126.4
[M+HCOO]-	193.07176	148.4
[M+CH3COO]-	207.08741	171.0
[M+Na-2H]-	169.04823	134.4
[M]+	148.07301	130.8
[M]-	148.07411	130.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe