CID 74618

5-cyclohexylsalicylic acid

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

C1CCC(CC1)C2=CC(=C(C=C2)O)C(=O)O

InChI

InChI=1S/C13H16O3/c14-12-7-6-10(8-11(12)13(15)16)9-4-2-1-3-5-9/h6-9,14H,1-5H2,(H,15,16)

InChIKey

GZEPXNUXMPYSOQ-UHFFFAOYSA-N

Compound name

5-cyclohexyl-2-hydroxybenzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 418
Patents: 220.10994 Da
Monoisotopic Mass: 5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	221.11722	148.7
[M+Na]+	243.09916	153.6
[M-H]-	219.10266	152.2
[M+NH4]+	238.14376	165.4
[M+K]+	259.07310	150.4
[M+H-H2O]+	203.10720	142.4
[M+HCOO]-	265.10814	166.0
[M+CH3COO]-	279.12379	183.5
[M+Na-2H]-	241.08461	150.9
[M]+	220.10939	143.3
[M]-	220.11049	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe