CID 3023611

Isotridecyl salicylate

Structural Information

Molecular Formula
C20H32O3
SMILES
CC(C)CCCCCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C20H32O3/c1-17(2)13-9-7-5-3-4-6-8-12-16-23-20(22)18-14-10-11-15-19(18)21/h10-11,14-15,17,21H,3-9,12-13,16H2,1-2H3
InChIKey
GJXOYLAGGXLISX-UHFFFAOYSA-N
Compound name
11-methyldodecyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

28
Patents

320.23514 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.24242 183.9
[M+Na]+ 343.22436 186.8
[M-H]- 319.22786 184.5
[M+NH4]+ 338.26896 197.6
[M+K]+ 359.19830 183.3
[M+H-H2O]+ 303.23240 176.4
[M+HCOO]- 365.23334 202.1
[M+CH3COO]- 379.24899 209.0
[M+Na-2H]- 341.20981 182.5
[M]+ 320.23459 188.6
[M]- 320.23569 188.6
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