CID 9860461

Isodecyl salicylate

Structural Information

Molecular Formula
C17H26O3
SMILES
CC(C)CCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C17H26O3/c1-14(2)10-6-4-3-5-9-13-20-17(19)15-11-7-8-12-16(15)18/h7-8,11-12,14,18H,3-6,9-10,13H2,1-2H3
InChIKey
PJTNSWOJMXNNFG-UHFFFAOYSA-N
Compound name
8-methylnonyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

408
Patents

278.1882 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.19548 169.3
[M+Na]+ 301.17742 179.4
[M+NH4]+ 296.22202 175.6
[M+K]+ 317.15136 173.0
[M-H]- 277.18092 169.7
[M+Na-2H]- 299.16287 172.9
[M]+ 278.18765 170.6
[M]- 278.18875 170.6
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