CID 8145

1,5-dimethoxypentane

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

COCCCCCOC

InChI

InChI=1S/C7H16O2/c1-8-6-4-3-5-7-9-2/h3-7H2,1-2H3

InChIKey

NFCBHIFOKVDBCJ-UHFFFAOYSA-N

Compound name

1,5-dimethoxypentane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1042
Patents: 132.11504 Da
Monoisotopic Mass: 1.0
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]+	133.122316	129.3
[M+Na]+	155.104258	136.1
[M-H]-	131.107764	129.4
[M+NH4]+	150.148863	151.6
[M+K]+	171.078198	136.7
[M+H-H2O]+	115.112300	124.6
[M+HCOO]-	177.113241	153.3
[M+CH3COO]-	191.128891	174.3
[M+Na-2H]-	153.089706	136.0
[M]+	132.11449142	134.0
[M]-	132.11558858	134.0

Literature stripe

literature stripe

Patent stripe

patents stripe