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

257
Patents

168.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 141.3
[M+Na]+ 191.140628 147.5
[M-H]- 167.144134 141.3
[M+NH4]+ 186.185233 162.3
[M+K]+ 207.114568 146.1
[M+H-H2O]+ 151.148670 137.1
[M+HCOO]- 213.149611 161.7
[M+CH3COO]- 227.165261 183.0
[M+Na-2H]- 189.126076 145.4
[M]+ 168.15086142 143.5
[M]- 168.15195858 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

literature stripe

Patent stripe

patents stripe