CID 70787

2-(3-methyl-2-buten-1-yl)phenol

Structural Information

Molecular Formula
C11H14O
SMILES
CC(=CCC1=CC=CC=C1O)C
InChI
InChI=1S/C11H14O/c1-9(2)7-8-10-5-3-4-6-11(10)12/h3-7,12H,8H2,1-2H3
InChIKey
GLOBOHBQKQLVIS-UHFFFAOYSA-N
Compound name
2-(3-methylbut-2-enyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

105
Patents

162.10446 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.111736 135.4
[M+Na]+ 185.093678 142.7
[M-H]- 161.097184 137.8
[M+NH4]+ 180.138283 155.8
[M+K]+ 201.067618 139.8
[M+H-H2O]+ 145.101720 130.2
[M+HCOO]- 207.102661 157.3
[M+CH3COO]- 221.118311 177.2
[M+Na-2H]- 183.079126 140.2
[M]+ 162.10391142 134.6
[M]- 162.10500858 134.6
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