CID 116800

Tetradecylphenol

Structural Information

Molecular Formula
C20H34O
SMILES
CCCCCCCCCCCCCCC1=CC=C(C=C1)O
InChI
InChI=1S/C20H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-15-17-20(21)18-16-19/h15-18,21H,2-14H2,1H3
InChIKey
PBFGGYXTTPKAHK-UHFFFAOYSA-N
Compound name
4-tetradecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1420
Patents

290.26096 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.268236 177.7
[M+Na]+ 313.250178 180.9
[M-H]- 289.253684 178.0
[M+NH4]+ 308.294783 192.8
[M+K]+ 329.224118 175.8
[M+H-H2O]+ 273.258220 170.3
[M+HCOO]- 335.259161 197.2
[M+CH3COO]- 349.274811 205.0
[M+Na-2H]- 311.235626 178.7
[M]+ 290.26041142 181.5
[M]- 290.26150858 181.5
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