CID 76883

2-allyl-6-methylphenol

Structural Information

Molecular Formula
C10H12O
SMILES
CC1=C(C(=CC=C1)CC=C)O
InChI
InChI=1S/C10H12O/c1-3-5-9-7-4-6-8(2)10(9)11/h3-4,6-7,11H,1,5H2,2H3
InChIKey
WREVCRYZAWNLRZ-UHFFFAOYSA-N
Compound name
2-methyl-6-prop-2-enylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1458
Patents

148.08882 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 130.7
[M+Na]+ 171.07804 144.4
[M+NH4]+ 166.12264 139.7
[M+K]+ 187.05198 137.2
[M-H]- 147.08154 133.1
[M+Na-2H]- 169.06349 137.8
[M]+ 148.08827 133.4
[M]- 148.08937 133.4
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