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

2
Annotation Hits: 1
References: 1228
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	115.7
[M+Na]+	113.05730	125.9
[M+NH4]+	108.10190	123.8
[M+K]+	129.03124	122.1
[M-H]-	89.060804	114.3
[M+Na-2H]-	111.04275	119.8
[M]+	90.067531	116.6
[M]-	90.068629	116.6

Literature stripe

literature stripe

Patent stripe

patents stripe