CID 91936

8-methoxy-2,6-dimethyloct-2-ene

Structural Information

Molecular Formula
C11H22O
SMILES
CC(CCC=C(C)C)CCOC
InChI
InChI=1S/C11H22O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3
InChIKey
QUGQATRJSUHGGA-UHFFFAOYSA-N
Compound name
8-methoxy-2,6-dimethyloct-2-ene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

83
Patents

170.16707 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.174346 144.2
[M+Na]+ 193.156288 149.4
[M-H]- 169.159794 143.9
[M+NH4]+ 188.200893 164.9
[M+K]+ 209.130228 148.7
[M+H-H2O]+ 153.164330 139.3
[M+HCOO]- 215.165271 164.9
[M+CH3COO]- 229.180921 184.5
[M+Na-2H]- 191.141736 146.2
[M]+ 170.16652142 146.8
[M]- 170.16761858 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe