CID 14846

2-methoxypropan-1-ol

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CC(CO)OC

InChI

InChI=1S/C4H10O2/c1-4(3-5)6-2/h4-5H,3H2,1-2H3

InChIKey

YTTFFPATQICAQN-UHFFFAOYSA-N

Compound name

2-methoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 6
References: 9851
Patents: 90.06808 Da
Monoisotopic Mass: -0.2
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	115.9
[M+Na]+	113.05730	126.0
[M+NH4]+	108.10190	124.0
[M+K]+	129.03124	121.7
[M-H]-	89.060804	114.9
[M+Na-2H]-	111.04275	119.7
[M]+	90.067531	116.8
[M]-	90.068629	116.8

Literature stripe

literature stripe

Patent stripe

patents stripe