CID 223505

4-benzyl-2-methylphenol

Structural Information

Molecular Formula
C14H14O
SMILES
CC1=C(C=CC(=C1)CC2=CC=CC=C2)O
InChI
InChI=1S/C14H14O/c1-11-9-13(7-8-14(11)15)10-12-5-3-2-4-6-12/h2-9,15H,10H2,1H3
InChIKey
JPCITNVIXXYRQK-UHFFFAOYSA-N
Compound name
4-benzyl-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

198.10446 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.111736 142.7
[M+Na]+ 221.093678 150.9
[M-H]- 197.097184 148.5
[M+NH4]+ 216.138283 161.6
[M+K]+ 237.067618 146.7
[M+H-H2O]+ 181.101720 136.2
[M+HCOO]- 243.102661 165.9
[M+CH3COO]- 257.118311 183.7
[M+Na-2H]- 219.079126 149.0
[M]+ 198.10391142 142.2
[M]- 198.10500858 142.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe