CID 102507

923-69-3

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CC(CCC=C(C)C)CC(OC)OC

InChI

InChI=1S/C12H24O2/c1-10(2)7-6-8-11(3)9-12(13-4)14-5/h7,11-12H,6,8-9H2,1-5H3

InChIKey

SEXUFKWNUNQRSS-UHFFFAOYSA-N

Compound name

8,8-dimethoxy-2,6-dimethyloct-2-ene

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 176
Patents: 200.17763 Da
Monoisotopic Mass: 3.7
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]+	201.184906	152.2
[M+Na]+	223.166848	156.7
[M-H]-	199.170354	151.7
[M+NH4]+	218.211453	171.6
[M+K]+	239.140788	156.6
[M+H-H2O]+	183.174890	146.9
[M+HCOO]-	245.175831	171.8
[M+CH3COO]-	259.191481	190.2
[M+Na-2H]-	221.152296	152.3
[M]+	200.17708142	156.0
[M]-	200.17817858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe