CID 98293

2622-83-5

Structural Information

Molecular Formula
C18H22O
SMILES
CCC(C)C1=CC(=C(C=C1)O)C(C)C2=CC=CC=C2
InChI
InChI=1S/C18H22O/c1-4-13(2)16-10-11-18(19)17(12-16)14(3)15-8-6-5-7-9-15/h5-14,19H,4H2,1-3H3
InChIKey
QJNBIFRUSFIANU-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-(1-phenylethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

254.16707 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.17435 161.4
[M+Na]+ 277.15629 167.2
[M-H]- 253.15979 166.6
[M+NH4]+ 272.20089 177.8
[M+K]+ 293.13023 163.0
[M+H-H2O]+ 237.16433 154.2
[M+HCOO]- 299.16527 181.2
[M+CH3COO]- 313.18092 197.5
[M+Na-2H]- 275.14174 163.0
[M]+ 254.16652 161.0
[M]- 254.16762 161.0
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