CID 76715

2,2'-methylenebis(4-methylphenol)

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
3
Annotation Hits

3
References

16136
Patents

228.11504 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.122316 150.6
[M+Na]+ 251.104258 159.7
[M-H]- 227.107764 155.6
[M+NH4]+ 246.148863 168.1
[M+K]+ 267.078198 155.1
[M+H-H2O]+ 211.112300 144.3
[M+HCOO]- 273.113241 172.1
[M+CH3COO]- 287.128891 188.7
[M+Na-2H]- 249.089706 154.5
[M]+ 228.11449142 150.9
[M]- 228.11558858 150.9
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