CID 72856

2,6-diallylphenol

Structural Information

Molecular Formula
C12H14O
SMILES
C=CCC1=C(C(=CC=C1)CC=C)O
InChI
InChI=1S/C12H14O/c1-3-6-10-8-5-9-11(7-4-2)12(10)13/h3-5,8-9,13H,1-2,6-7H2
InChIKey
RMXNSQWYMVTLEU-UHFFFAOYSA-N
Compound name
2,6-bis(prop-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2286
Patents

174.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.111736 137.3
[M+Na]+ 197.093678 145.6
[M-H]- 173.097184 139.8
[M+NH4]+ 192.138283 157.4
[M+K]+ 213.067618 141.4
[M+H-H2O]+ 157.101720 132.1
[M+HCOO]- 219.102661 160.1
[M+CH3COO]- 233.118311 180.3
[M+Na-2H]- 195.079126 142.2
[M]+ 174.10391142 137.3
[M]- 174.10500858 137.3
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