CID 211164

22498-15-3

Structural Information

Molecular Formula

C₁₅H₃₁NOS

SMILES

C1CCCC(CCC1)OCCCCCNCCS

InChI

InChI=1S/C15H31NOS/c18-14-12-16-11-7-4-8-13-17-15-9-5-2-1-3-6-10-15/h15-16,18H,1-14H2

InChIKey

WTUQKOJHRFMWNY-UHFFFAOYSA-N

Compound name

2-(5-cyclooctyloxypentylamino)ethanethiol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 273.21265 Da
Monoisotopic Mass: 3.9
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]+	274.21993	157.3
[M+Na]+	296.20187	159.7
[M-H]-	272.20537	158.3
[M+NH4]+	291.24647	164.8
[M+K]+	312.17581	159.5
[M+H-H2O]+	256.20991	153.2
[M+HCOO]-	318.21085	163.7
[M+CH3COO]-	332.22650	229.8
[M+Na-2H]-	294.18732	155.6
[M]+	273.21210	157.1
[M]-	273.21320	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe