CID 31079

22239-54-9

Structural Information

Molecular Formula
C15H16O
SMILES
CC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)O
InChI
InChI=1S/C15H16O/c1-11(2)12-3-5-13(6-4-12)14-7-9-15(16)10-8-14/h3-11,16H,1-2H3
InChIKey
YHZQOKUDQQISEW-UHFFFAOYSA-N
Compound name
4-(4-propan-2-ylphenyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1012
Patents

212.12012 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 147.4
[M+Na]+ 235.10934 154.9
[M-H]- 211.11284 153.1
[M+NH4]+ 230.15394 165.7
[M+K]+ 251.08328 150.9
[M+H-H2O]+ 195.11738 140.8
[M+HCOO]- 257.11832 169.3
[M+CH3COO]- 271.13397 187.6
[M+Na-2H]- 233.09479 152.0
[M]+ 212.11957 146.6
[M]- 212.12067 146.6
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