CID 96532

2,6-diallyl-4-methoxyphenol

Structural Information

Molecular Formula
C13H16O2
SMILES
COC1=CC(=C(C(=C1)CC=C)O)CC=C
InChI
InChI=1S/C13H16O2/c1-4-6-10-8-12(15-3)9-11(7-5-2)13(10)14/h4-5,8-9,14H,1-2,6-7H2,3H3
InChIKey
FLSIHRBYEUUNFL-UHFFFAOYSA-N
Compound name
4-methoxy-2,6-bis(prop-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

204.11504 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.12232 144.5
[M+Na]+ 227.10426 153.2
[M-H]- 203.10776 147.2
[M+NH4]+ 222.14886 163.7
[M+K]+ 243.07820 149.3
[M+H-H2O]+ 187.11230 139.1
[M+HCOO]- 249.11324 167.1
[M+CH3COO]- 263.12889 186.6
[M+Na-2H]- 225.08971 148.2
[M]+ 204.11449 146.7
[M]- 204.11559 146.7
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