CID 123377

O-cumylphenol

Structural Information

Molecular Formula
C15H16O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=CC=C2O
InChI
InChI=1S/C15H16O/c1-15(2,12-8-4-3-5-9-12)13-10-6-7-11-14(13)16/h3-11,16H,1-2H3
InChIKey
CJWNFAKWHDOUKL-UHFFFAOYSA-N
Compound name
2-(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

12664
Patents

212.12012 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.12740 147.7
[M+Na]+ 235.10934 155.0
[M-H]- 211.11284 153.3
[M+NH4]+ 230.15394 165.8
[M+K]+ 251.08328 150.9
[M+H-H2O]+ 195.11738 141.4
[M+HCOO]- 257.11832 169.0
[M+CH3COO]- 271.13397 186.0
[M+Na-2H]- 233.09479 154.9
[M]+ 212.11957 146.7
[M]- 212.12067 146.7
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