CID 45358110

4-[(1e)-3-ethenyl-7-methylocta-1,6-dien-1-yl]phenol

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]+ 243.174346 160.6
[M+Na]+ 265.156288 165.7
[M-H]- 241.159794 162.0
[M+NH4]+ 260.200893 177.6
[M+K]+ 281.130228 160.5
[M+H-H2O]+ 225.164330 154.5
[M+HCOO]- 287.165271 179.9
[M+CH3COO]- 301.180921 193.8
[M+Na-2H]- 263.141736 160.9
[M]+ 242.16652142 159.8
[M]- 242.16761858 159.8
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.