CID 74116

3-methoxy-1-propanol

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

COCCCO

InChI

InChI=1S/C4H10O2/c1-6-4-2-3-5/h5H,2-4H2,1H3

InChIKey

JDFDHBSESGTDAL-UHFFFAOYSA-N

Compound name

3-methoxypropan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 6
References: 33024
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	116.2
[M+Na]+	113.05730	123.8
[M-H]-	89.060804	115.4
[M+NH4]+	108.10190	139.4
[M+K]+	129.03124	124.2
[M+H-H2O]+	73.065340	112.3
[M+HCOO]-	135.06628	139.7
[M+CH3COO]-	149.08193	162.4
[M+Na-2H]-	111.04275	123.9
[M]+	90.067531	117.8
[M]-	90.068629	117.8

Literature stripe

literature stripe

Patent stripe

patents stripe