CID 117616009

Tert-butyl n-(6-sulfanylhexyl)carbamate

Structural Information

Molecular Formula

C₁₁H₂₃NO₂S

SMILES

CC(C)(C)OC(=O)NCCCCCCS

InChI

InChI=1S/C11H23NO2S/c1-11(2,3)14-10(13)12-8-6-4-5-7-9-15/h15H,4-9H2,1-3H3,(H,12,13)

InChIKey

UKCPAESMCGEPNP-UHFFFAOYSA-N

Compound name

tert-butyl N-(6-sulfanylhexyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 233.14494 Da
Monoisotopic Mass: 2.6
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]+	234.15222	158.6
[M+Na]+	256.13416	165.6
[M+NH4]+	251.17876	165.1
[M+K]+	272.10810	158.8
[M-H]-	232.13766	157.2
[M+Na-2H]-	254.11961	159.6
[M]+	233.14439	159.4
[M]-	233.14549	159.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe