CID 46173939

Chebi:81179

Structural Information

Molecular Formula
C17H24O2
SMILES
CC(=CCC/C(=C/CC1=C(C(=CC=C1)OC)O)/C)C
InChI
InChI=1S/C17H24O2/c1-13(2)7-5-8-14(3)11-12-15-9-6-10-16(19-4)17(15)18/h6-7,9-11,18H,5,8,12H2,1-4H3/b14-11+
InChIKey
ZNGWNKADFSBHQZ-SDNWHVSQSA-N
Compound name
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-6-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

260.17764 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.18492 164.6
[M+Na]+ 283.16686 170.2
[M-H]- 259.17036 166.3
[M+NH4]+ 278.21146 181.2
[M+K]+ 299.14080 166.3
[M+H-H2O]+ 243.17490 158.4
[M+HCOO]- 305.17584 183.9
[M+CH3COO]- 319.19149 197.8
[M+Na-2H]- 281.15231 164.2
[M]+ 260.17709 166.4
[M]- 260.17819 166.4
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