CID 76715

3236-63-3

Structural Information

Molecular Formula
C15H16O2
SMILES
CC1=CC(=C(C=C1)O)CC2=C(C=CC(=C2)C)O
InChI
InChI=1S/C15H16O2/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17/h3-8,16-17H,9H2,1-2H3
InChIKey
XZXYQEHISUMZAT-UHFFFAOYSA-N
Compound name
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

15946
Patents

228.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.12232 151.8
[M+Na]+ 251.10426 167.1
[M+NH4]+ 246.14886 160.6
[M+K]+ 267.07820 159.5
[M-H]- 227.10776 156.2
[M+Na-2H]- 249.08971 160.4
[M]+ 228.11449 155.4
[M]- 228.11559 155.4
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