CID 57496573

Tert-butyl n-(methylcarbamothioyl)carbamate

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CC(C)(C)OC(=O)NC(=S)NC
InChI
InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-5(12)8-4/h1-4H3,(H2,8,9,10,12)
InChIKey
AFLNTOSPDZMJLL-UHFFFAOYSA-N
Compound name
tert-butyl N-(methylcarbamothioyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

169
Patents

190.0776 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 143.4
[M+Na]+ 213.06682 149.0
[M-H]- 189.07032 143.8
[M+NH4]+ 208.11142 163.0
[M+K]+ 229.04076 148.1
[M+H-H2O]+ 173.07486 137.9
[M+HCOO]- 235.07580 160.5
[M+CH3COO]- 249.09145 184.5
[M+Na-2H]- 211.05227 145.4
[M]+ 190.07705 144.6
[M]- 190.07815 144.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe