CID 54594973

Tert-butyl n-(1,2-dithiolan-4-yl)carbamate

Structural Information

Molecular Formula
C8H15NO2S2
SMILES
CC(C)(C)OC(=O)NC1CSSC1
InChI
InChI=1S/C8H15NO2S2/c1-8(2,3)11-7(10)9-6-4-12-13-5-6/h6H,4-5H2,1-3H3,(H,9,10)
InChIKey
QSZSBFIOTUHZKI-UHFFFAOYSA-N
Compound name
tert-butyl N-(dithiolan-4-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

221.05443 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06171 150.5
[M+Na]+ 244.04365 156.1
[M-H]- 220.04715 153.3
[M+NH4]+ 239.08825 170.9
[M+K]+ 260.01759 153.9
[M+H-H2O]+ 204.05169 145.2
[M+HCOO]- 266.05263 161.2
[M+CH3COO]- 280.06828 184.9
[M+Na-2H]- 242.02910 149.9
[M]+ 221.05388 151.2
[M]- 221.05498 151.2
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