CID 76516

Butoxymethanol

Structural Information

Molecular Formula

C₅H₁₂O₂

SMILES

CCCCOCO

InChI

InChI=1S/C5H12O2/c1-2-3-4-7-5-6/h6H,2-5H2,1H3

InChIKey

CRHLZRRTZDFDAJ-UHFFFAOYSA-N

Compound name

butoxymethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1279
Patents: 104.08373 Da
Monoisotopic Mass: 1.1
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]+	105.09101	119.9
[M+Na]+	127.07295	130.2
[M+NH4]+	122.11755	128.0
[M+K]+	143.04689	124.8
[M-H]-	103.07645	119.0
[M+Na-2H]-	125.05840	123.8
[M]+	104.08318	120.9
[M]-	104.08428	120.9

Literature stripe

literature stripe

Patent stripe

patents stripe