CID 10887827

2-methoxypropan-2-ol

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CC(C)(O)OC

InChI

InChI=1S/C4H10O2/c1-4(2,5)6-3/h5H,1-3H3

InChIKey

BFSUQRCCKXZXEX-UHFFFAOYSA-N

Compound name

2-methoxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 1905
Patents: 90.06808 Da
Monoisotopic Mass: 0.1
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]+	91.075356	116.1
[M+Na]+	113.05730	124.2
[M-H]-	89.060804	115.7
[M+NH4]+	108.10190	139.4
[M+K]+	129.03124	125.0
[M+H-H2O]+	73.065340	112.9
[M+HCOO]-	135.06628	138.0
[M+CH3COO]-	149.08193	162.7
[M+Na-2H]-	111.04275	124.5
[M]+	90.067531	117.2
[M]-	90.068629	117.2

Literature stripe

literature stripe

Patent stripe

patents stripe