CID 155892

3-tridecylphenol

Structural Information

Molecular Formula
C19H32O
SMILES
CCCCCCCCCCCCCC1=CC(=CC=C1)O
InChI
InChI=1S/C19H32O/c1-2-3-4-5-6-7-8-9-10-11-12-14-18-15-13-16-19(20)17-18/h13,15-17,20H,2-12,14H2,1H3
InChIKey
IFGRPNIAGKTMCH-UHFFFAOYSA-N
Compound name
3-tridecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

34
Patents

276.24533 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.25261 173.2
[M+Na]+ 299.23455 176.8
[M-H]- 275.23805 173.7
[M+NH4]+ 294.27915 188.9
[M+K]+ 315.20849 172.0
[M+H-H2O]+ 259.24259 166.0
[M+HCOO]- 321.24353 193.1
[M+CH3COO]- 335.25918 202.0
[M+Na-2H]- 297.22000 174.7
[M]+ 276.24478 176.6
[M]- 276.24588 176.6
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