CID 139596457

Ns00008931

Structural Information

Molecular Formula
C18H22O2
SMILES
CC1=C(C=C(C=C1)C(C)C2=C(C(=C(C(=C2)C)C)O)O)C
InChI
InChI=1S/C18H22O2/c1-10-6-7-15(8-11(10)2)14(5)16-9-12(3)13(4)17(19)18(16)20/h6-9,14,19-20H,1-5H3
InChIKey
OQPSHTSHVGHALU-UHFFFAOYSA-N
Compound name
6-[1-(3,4-dimethylphenyl)ethyl]-3,4-dimethylbenzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 162.9
[M+Na]+ 293.151218 172.2
[M-H]- 269.154724 168.3
[M+NH4]+ 288.195823 179.2
[M+K]+ 309.125158 167.7
[M+H-H2O]+ 253.159260 156.7
[M+HCOO]- 315.160201 182.4
[M+CH3COO]- 329.175851 201.2
[M+Na-2H]- 291.136666 162.6
[M]+ 270.16145142 164.5
[M]- 270.16254858 164.5
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.