CID 103375

1-undecene, 11,11-dimethoxy-

Structural Information

Molecular Formula

C₁₃H₂₆O₂

SMILES

COC(CCCCCCCCC=C)OC

InChI

InChI=1S/C13H26O2/c1-4-5-6-7-8-9-10-11-12-13(14-2)15-3/h4,13H,1,5-12H2,2-3H3

InChIKey

NMUOIBRAVXKEQL-UHFFFAOYSA-N

Compound name

11,11-dimethoxyundec-1-ene

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 214.19328 Da
Monoisotopic Mass: 4.6
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]+	215.200556	156.1
[M+Na]+	237.182498	160.5
[M-H]-	213.186004	155.2
[M+NH4]+	232.227103	175.0
[M+K]+	253.156438	159.3
[M+H-H2O]+	197.190540	150.3
[M+HCOO]-	259.191481	177.3
[M+CH3COO]-	273.207131	192.2
[M+Na-2H]-	235.167946	158.2
[M]+	214.19273142	161.7
[M]-	214.19382858	161.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe