CID 8362

Homosalate

Structural Information

Molecular Formula
C16H22O3
SMILES
CC1CC(CC(C1)(C)C)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C16H22O3/c1-11-8-12(10-16(2,3)9-11)19-15(18)13-6-4-5-7-14(13)17/h4-7,11-12,17H,8-10H2,1-3H3
InChIKey
WSSJONWNBBTCMG-UHFFFAOYSA-N
Compound name
(3,3,5-trimethylcyclohexyl) 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

78
References

43453
Patents

262.1569 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.164176 161.1
[M+Na]+ 285.146118 167.1
[M-H]- 261.149624 166.2
[M+NH4]+ 280.190723 179.2
[M+K]+ 301.120058 164.5
[M+H-H2O]+ 245.154160 154.9
[M+HCOO]- 307.155101 178.8
[M+CH3COO]- 321.170751 195.1
[M+Na-2H]- 283.131566 162.6
[M]+ 262.15635142 159.2
[M]- 262.15744858 159.2
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