CID 21088791

Tert-butyl n-tetrahydrothiopyran-4-ylcarbamate

Structural Information

Molecular Formula
C10H19NO2S
SMILES
CC(C)(C)OC(=O)NC1CCSCC1
InChI
InChI=1S/C10H19NO2S/c1-10(2,3)13-9(12)11-8-4-6-14-7-5-8/h8H,4-7H2,1-3H3,(H,11,12)
InChIKey
IRZQBMIZGJSXFN-UHFFFAOYSA-N
Compound name
tert-butyl N-(thian-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

217.11365 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.12093 150.4
[M+Na]+ 240.10287 153.9
[M-H]- 216.10637 152.9
[M+NH4]+ 235.14747 168.9
[M+K]+ 256.07681 152.7
[M+H-H2O]+ 200.11091 144.6
[M+HCOO]- 262.11185 164.0
[M+CH3COO]- 276.12750 186.4
[M+Na-2H]- 238.08832 152.0
[M]+ 217.11310 148.6
[M]- 217.11420 148.6
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