CID 11160528

4,4'-methylenebis(2-methylphenol)

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4789
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