CID 45358110

17015-60-0

Structural Information

Molecular Formula
C17H22O
SMILES
CC(=CCCC(C=C)/C=C/C1=CC=C(C=C1)O)C
InChI
InChI=1S/C17H22O/c1-4-15(7-5-6-14(2)3)8-9-16-10-12-17(18)13-11-16/h4,6,8-13,15,18H,1,5,7H2,2-3H3/b9-8+
InChIKey
HFGJBFLUJAGDTP-CMDGGOBGSA-N
Compound name
4-[(1E)-3-ethenyl-7-methylocta-1,6-dienyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.16707 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17435 161.9
[M+Na]+ 265.15629 173.1
[M+NH4]+ 260.20089 168.9
[M+K]+ 281.13023 165.4
[M-H]- 241.15979 162.9
[M+Na-2H]- 263.14174 166.2
[M]+ 242.16652 163.6
[M]- 242.16762 163.6
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.