CID 81117

2-allyl-4-methylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

232
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 129.4
[M+Na]+ 171.07804 138.3
[M-H]- 147.08154 132.3
[M+NH4]+ 166.12264 150.7
[M+K]+ 187.05198 135.2
[M+H-H2O]+ 131.08608 124.6
[M+HCOO]- 193.08702 152.7
[M+CH3COO]- 207.10267 175.1
[M+Na-2H]- 169.06349 135.5
[M]+ 148.08827 129.4
[M]- 148.08937 129.4
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