CID 96427

6420-65-1

Structural Information

Molecular Formula
C18H22O2
SMILES
CCC(C)(C1=CC(=C(C=C1)O)C)C2=CC(=C(C=C2)O)C
InChI
InChI=1S/C18H22O2/c1-5-18(4,14-6-8-16(19)12(2)10-14)15-7-9-17(20)13(3)11-15/h6-11,19-20H,5H2,1-4H3
InChIKey
KKBHVPNWMXTNBL-UHFFFAOYSA-N
Compound name
4-[2-(4-hydroxy-3-methylphenyl)butan-2-yl]-2-methylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

687
Patents

270.162 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.169276 164.2
[M+Na]+ 293.151218 172.3
[M-H]- 269.154724 169.0
[M+NH4]+ 288.195823 180.1
[M+K]+ 309.125158 167.6
[M+H-H2O]+ 253.159260 157.9
[M+HCOO]- 315.160201 183.1
[M+CH3COO]- 329.175851 198.2
[M+Na-2H]- 291.136666 167.2
[M]+ 270.16145142 165.0
[M]- 270.16254858 165.0
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