CID 117799

1,1-dimethoxypentane

Structural Information

Molecular Formula

C₇H₁₆O₂

SMILES

CCCCC(OC)OC

InChI

InChI=1S/C7H16O2/c1-4-5-6-7(8-2)9-3/h7H,4-6H2,1-3H3

InChIKey

VMOZJXZMOQSSMH-UHFFFAOYSA-N

Compound name

1,1-dimethoxypentane

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 336
Patents: 132.11504 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]+	133.122316	129.8
[M+Na]+	155.104258	136.4
[M-H]-	131.107764	130.0
[M+NH4]+	150.148863	152.1
[M+K]+	171.078198	137.4
[M+H-H2O]+	115.112300	125.2
[M+HCOO]-	177.113241	152.8
[M+CH3COO]-	191.128891	175.1
[M+Na-2H]-	153.089706	135.2
[M]+	132.11449142	133.8
[M]-	132.11558858	133.8

Literature stripe

literature stripe

Patent stripe

patents stripe