CID 5324304

Tert-butyl n-(carbamothioylmethyl)carbamate

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CC(C)(C)OC(=O)NCC(=S)N
InChI
InChI=1S/C7H14N2O2S/c1-7(2,3)11-6(10)9-4-5(8)12/h4H2,1-3H3,(H2,8,12)(H,9,10)
InChIKey
AGBIUUFZUPNDTM-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-amino-2-sulfanylideneethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

202
Patents

190.0776 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08488 143.2
[M+Na]+ 213.06682 148.6
[M-H]- 189.07032 143.0
[M+NH4]+ 208.11142 162.4
[M+K]+ 229.04076 147.4
[M+H-H2O]+ 173.07486 137.7
[M+HCOO]- 235.07580 159.6
[M+CH3COO]- 249.09145 185.2
[M+Na-2H]- 211.05227 144.2
[M]+ 190.07705 143.5
[M]- 190.07815 143.5
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