CID 18319150

Butyloctyl salicylate

Structural Information

Molecular Formula

C₁₉H₃₀O₃

SMILES

CCCCCCC(CCCC)COC(=O)C1=CC=CC=C1O

InChI

InChI=1S/C19H30O3/c1-3-5-7-8-12-16(11-6-4-2)15-22-19(21)17-13-9-10-14-18(17)20/h9-10,13-14,16,20H,3-8,11-12,15H2,1-2H3

InChIKey

CZVOIAOPRGNENY-UHFFFAOYSA-N

Compound name

2-butyloctyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 0
References: 2101
Patents: 306.21948 Da
Monoisotopic Mass: 7.9
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]+	307.226756	179.4
[M+Na]+	329.208698	182.7
[M-H]-	305.212204	180.1
[M+NH4]+	324.253303	193.6
[M+K]+	345.182638	179.4
[M+H-H2O]+	289.216740	172.0
[M+HCOO]-	351.217681	197.9
[M+CH3COO]-	365.233331	206.1
[M+Na-2H]-	327.194146	178.4
[M]+	306.21893142	183.7
[M]-	306.22002858	183.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe