CID 3014524

Propoxymethanol

Structural Information

Molecular Formula

C₄H₁₀O₂

SMILES

CCCOCO

InChI

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

InChIKey

BPDIHEGWJJPPSG-UHFFFAOYSA-N

Compound name

propoxymethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2809
Patents: 90.06808 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]+	91.075356	116.2
[M+Na]+	113.057298	123.8
[M-H]-	89.060804	115.4
[M+NH4]+	108.101903	139.4
[M+K]+	129.031238	124.2
[M+H-H2O]+	73.065340	112.3
[M+HCOO]-	135.066281	139.7
[M+CH3COO]-	149.081931	162.4
[M+Na-2H]-	111.042746	123.9
[M]+	90.06753142	117.8
[M]-	90.06862858	117.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe