CID 11182

1-methoxypropane

Structural Information

Molecular Formula

C₄H₁₀O

SMILES

CCCOC

InChI

InChI=1S/C4H10O/c1-3-4-5-2/h3-4H2,1-2H3

InChIKey

VNKYTQGIUYNRMY-UHFFFAOYSA-N

Compound name

1-methoxypropane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 68788
Patents: 74.073166 Da
Monoisotopic Mass: 1.2
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]+	75.080442	112.1
[M+Na]+	97.062384	120.2
[M-H]-	73.065890	112.9
[M+NH4]+	92.106989	136.8
[M+K]+	113.03632	121.3
[M+H-H2O]+	57.070426	108.4
[M+HCOO]-	119.07137	136.9
[M+CH3COO]-	133.08702	163.3
[M+Na-2H]-	95.047832	120.5
[M]+	74.072617	114.2
[M]-	74.073715	114.2

Literature stripe

literature stripe

Patent stripe

patents stripe