CID 108507

3-methoxy-3,7-dimethylocta-1,6-diene

Structural Information

Molecular Formula
C11H20O
SMILES
CC(=CCCC(C)(C=C)OC)C
InChI
InChI=1S/C11H20O/c1-6-11(4,12-5)9-7-8-10(2)3/h6,8H,1,7,9H2,2-5H3
InChIKey
BARWQAWUANUTNS-UHFFFAOYSA-N
Compound name
3-methoxy-3,7-dimethylocta-1,6-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

256
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.15869 141.3
[M+Na]+ 191.14063 147.5
[M-H]- 167.14413 141.3
[M+NH4]+ 186.18523 162.3
[M+K]+ 207.11457 146.1
[M+H-H2O]+ 151.14867 137.1
[M+HCOO]- 213.14961 161.7
[M+CH3COO]- 227.16526 183.0
[M+Na-2H]- 189.12608 145.4
[M]+ 168.15086 143.5
[M]- 168.15196 143.5
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

No patent data available for this compound.