CID 69412

1-methoxypentane

Structural Information

Molecular Formula

C₆H₁₄O

SMILES

CCCCCOC

InChI

InChI=1S/C6H14O/c1-3-4-5-6-7-2/h3-6H2,1-2H3

InChIKey

DBUJFULDVAZULB-UHFFFAOYSA-N

Compound name

1-methoxypentane

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 13
References: 15035
Patents: 102.10446 Da
Monoisotopic Mass: 1.9
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]+	103.11174	120.7
[M+Na]+	125.09368	131.9
[M+NH4]+	120.13828	129.6
[M+K]+	141.06762	125.5
[M-H]-	101.09718	121.0
[M+Na-2H]-	123.07913	125.6
[M]+	102.10391	122.3
[M]-	102.10501	122.3

Literature stripe

literature stripe

Patent stripe

patents stripe