CID 3018008

70421-89-5

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

0
Patents

242.13068 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.137956 154.1
[M+Na]+ 265.119898 164.5
[M-H]- 241.123404 159.7
[M+NH4]+ 260.164503 171.6
[M+K]+ 281.093838 159.9
[M+H-H2O]+ 225.127940 148.1
[M+HCOO]- 287.128881 175.2
[M+CH3COO]- 301.144531 194.2
[M+Na-2H]- 263.105346 156.0
[M]+ 242.13013142 155.6
[M]- 242.13122858 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.