CID 3018008

Hydroxy(hydroxydimethylphenyl)dimethylbenzene

Structural Information

Molecular Formula
C16H18O2
SMILES
CC1=C(C(=C(C=C1)O)C2=C(C(=C(C=C2)O)C)C)C
InChI
InChI=1S/C16H18O2/c1-9-5-7-15(18)16(10(9)2)13-6-8-14(17)12(4)11(13)3/h5-8,17-18H,1-4H3
InChIKey
FZDQPIYWUWFLMF-UHFFFAOYSA-N
Compound name
2-(4-hydroxy-2,3-dimethylphenyl)-3,4-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

242.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.13796 154.1
[M+Na]+ 265.11990 164.5
[M-H]- 241.12340 159.7
[M+NH4]+ 260.16450 171.6
[M+K]+ 281.09384 159.9
[M+H-H2O]+ 225.12794 148.1
[M+HCOO]- 287.12888 175.2
[M+CH3COO]- 301.14453 194.2
[M+Na-2H]- 263.10535 156.0
[M]+ 242.13013 155.6
[M]- 242.13123 155.6
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

No patent data available for this compound.