CID 125098

Icaridin

Structural Information

Molecular Formula

C₁₂H₂₃NO₃

SMILES

CCC(C)OC(=O)N1CCCCC1CCO

InChI

InChI=1S/C12H23NO3/c1-3-10(2)16-12(15)13-8-5-4-6-11(13)7-9-14/h10-11,14H,3-9H2,1-2H3

InChIKey

QLHULAHOXSSASE-UHFFFAOYSA-N

Compound name

butan-2-yl 2-(2-hydroxyethyl)piperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

7
Annotation Hits: 104
References: 6673
Patents: 229.1678 Da
Monoisotopic Mass: 2.0
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]+	230.175076	156.5
[M+Na]+	252.157018	159.9
[M-H]-	228.160524	156.1
[M+NH4]+	247.201623	172.4
[M+K]+	268.130958	158.9
[M+H-H2O]+	212.165060	149.7
[M+HCOO]-	274.166001	171.8
[M+CH3COO]-	288.181651	188.3
[M+Na-2H]-	250.142466	156.5
[M]+	229.16725142	154.5
[M]-	229.16834858	154.5

Literature stripe

literature stripe

Patent stripe

patents stripe