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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.15222 157.9
[M+Na]+ 256.13416 162.6
[M-H]- 232.13766 157.6
[M+NH4]+ 251.17876 176.3
[M+K]+ 272.10810 161.0
[M+H-H2O]+ 216.14220 152.1
[M+HCOO]- 278.14314 173.7
[M+CH3COO]- 292.15879 193.0
[M+Na-2H]- 254.11961 158.8
[M]+ 233.14439 163.0
[M]- 233.14549 163.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe