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

8
Patents

233.14494 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.152216 157.9
[M+Na]+ 256.134158 162.6
[M-H]- 232.137664 157.6
[M+NH4]+ 251.178763 176.3
[M+K]+ 272.108098 161.0
[M+H-H2O]+ 216.142200 152.1
[M+HCOO]- 278.143141 173.7
[M+CH3COO]- 292.158791 193.0
[M+Na-2H]- 254.119606 158.8
[M]+ 233.14439142 163.0
[M]- 233.14548858 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