CID 50941

8-ethoxy-2,6-dimethyloct-2-ene

Structural Information

Molecular Formula
C12H24O
SMILES
CCOCCC(C)CCC=C(C)C
InChI
InChI=1S/C12H24O/c1-5-13-10-9-12(4)8-6-7-11(2)3/h7,12H,5-6,8-10H2,1-4H3
InChIKey
AUAWLMMUJFEVCX-UHFFFAOYSA-N
Compound name
8-ethoxy-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

188
Patents

184.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.189986 148.9
[M+Na]+ 207.171928 153.6
[M-H]- 183.175434 148.4
[M+NH4]+ 202.216533 169.1
[M+K]+ 223.145868 152.7
[M+H-H2O]+ 167.179970 143.7
[M+HCOO]- 229.180911 169.2
[M+CH3COO]- 243.196561 187.5
[M+Na-2H]- 205.157376 150.3
[M]+ 184.18216142 151.9
[M]- 184.18325858 151.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe