CID 88191

Tridecyl salicylate

Structural Information

Molecular Formula
C20H32O3
SMILES
CCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C20H32O3/c1-2-3-4-5-6-7-8-9-10-11-14-17-23-20(22)18-15-12-13-16-19(18)21/h12-13,15-16,21H,2-11,14,17H2,1H3
InChIKey
VLMWBWYAHNRUGC-UHFFFAOYSA-N
Compound name
tridecyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

941
Patents

320.23514 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 183.5
[M+Na]+ 343.22436 186.6
[M-H]- 319.22786 183.9
[M+NH4]+ 338.26896 197.2
[M+K]+ 359.19830 182.6
[M+H-H2O]+ 303.23240 175.8
[M+HCOO]- 365.23334 202.7
[M+CH3COO]- 379.24899 208.2
[M+Na-2H]- 341.20981 183.3
[M]+ 320.23459 188.8
[M]- 320.23569 188.8
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