CID 139596751

Ns00007452

Structural Information

Molecular Formula
C18H22O2
SMILES
CC(C)C1=CC=C(C=C1)C2=C(C(=C(C=C2)C(C)C)O)O
InChI
InChI=1S/C18H22O2/c1-11(2)13-5-7-14(8-6-13)16-10-9-15(12(3)4)17(19)18(16)20/h5-12,19-20H,1-4H3
InChIKey
QGLMDGAZUQSORY-UHFFFAOYSA-N
Compound name
3-propan-2-yl-6-(4-propan-2-ylphenyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.162 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 164.0
[M+Na]+ 293.151218 171.1
[M-H]- 269.154724 168.6
[M+NH4]+ 288.195823 179.6
[M+K]+ 309.125158 167.0
[M+H-H2O]+ 253.159260 157.4
[M+HCOO]- 315.160201 182.5
[M+CH3COO]- 329.175851 199.5
[M+Na-2H]- 291.136666 163.8
[M]+ 270.16145142 164.1
[M]- 270.16254858 164.1
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.