CID 107057

8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene

Structural Information

Molecular Formula
C13H26O2
SMILES
CC(CCC=C(C)C)CCOC(C)OC
InChI
InChI=1S/C13H26O2/c1-11(2)7-6-8-12(3)9-10-15-13(4)14-5/h7,12-13H,6,8-10H2,1-5H3
InChIKey
YSABATHBMSLQLP-UHFFFAOYSA-N
Compound name
8-(1-methoxyethoxy)-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

171
Patents

214.19328 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.200556 156.9
[M+Na]+ 237.182498 161.0
[M-H]- 213.186004 156.2
[M+NH4]+ 232.227103 175.7
[M+K]+ 253.156438 160.6
[M+H-H2O]+ 197.190540 151.4
[M+HCOO]- 259.191481 176.1
[M+CH3COO]- 273.207131 193.2
[M+Na-2H]- 235.167946 156.5
[M]+ 214.19273142 161.0
[M]- 214.19382858 161.0
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