CID 62624

Octyl salicylate

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCCCCCCOC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C15H22O3/c1-2-3-4-5-6-9-12-18-15(17)13-10-7-8-11-14(13)16/h7-8,10-11,16H,2-6,9,12H2,1H3
InChIKey
WCJLCOAEJIHPCW-UHFFFAOYSA-N
Compound name
octyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

23
References

27515
Patents

250.15689 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 160.6
[M+Na]+ 273.14611 165.9
[M-H]- 249.14961 162.1
[M+NH4]+ 268.19071 177.2
[M+K]+ 289.12005 163.1
[M+H-H2O]+ 233.15415 153.9
[M+HCOO]- 295.15509 181.5
[M+CH3COO]- 309.17074 193.3
[M+Na-2H]- 271.13156 163.1
[M]+ 250.15634 164.1
[M]- 250.15744 164.1
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