CID 84735

Octadecyl salicylate

Structural Information

Molecular Formula
C25H42O3
SMILES
CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C25H42O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-28-25(27)23-20-17-18-21-24(23)26/h17-18,20-21,26H,2-16,19,22H2,1H3
InChIKey
OZAVCEALUDNEKN-UHFFFAOYSA-N
Compound name
octadecyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

135
Patents

390.3134 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.320676 205.9
[M+Na]+ 413.302618 206.8
[M-H]- 389.306124 205.3
[M+NH4]+ 408.347223 216.6
[M+K]+ 429.276558 201.5
[M+H-H2O]+ 373.310660 197.1
[M+HCOO]- 435.311601 223.3
[M+CH3COO]- 449.327251 223.0
[M+Na-2H]- 411.288066 202.9
[M]+ 390.31285142 212.9
[M]- 390.31394858 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe