CID 101330

Cyclohexyl salicylate

Structural Information

Molecular Formula
C13H16O3
SMILES
C1CCC(CC1)OC(=O)C2=CC=CC=C2O
InChI
InChI=1S/C13H16O3/c14-12-9-5-4-8-11(12)13(15)16-10-6-2-1-3-7-10/h4-5,8-10,14H,1-3,6-7H2
InChIKey
NUQDJSMHGCTKNL-UHFFFAOYSA-N
Compound name
cyclohexyl 2-hydroxybenzoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

2
References

8586
Patents

220.10994 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.11722 148.9
[M+Na]+ 243.09916 153.3
[M-H]- 219.10266 153.4
[M+NH4]+ 238.14376 166.0
[M+K]+ 259.07310 150.9
[M+H-H2O]+ 203.10720 142.0
[M+HCOO]- 265.10814 167.7
[M+CH3COO]- 279.12379 184.1
[M+Na-2H]- 241.08461 152.1
[M]+ 220.10939 144.7
[M]- 220.11049 144.7
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