CID 5365025

Tert-butyl n-(1-carbamothioylethyl)carbamate

Structural Information

Molecular Formula
C8H16N2O2S
SMILES
CC(C(=S)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C8H16N2O2S/c1-5(6(9)13)10-7(11)12-8(2,3)4/h5H,1-4H3,(H2,9,13)(H,10,11)
InChIKey
WNBYIVHXPVFKHC-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-1-sulfanylidenepropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

204.09325 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.10053 149.0
[M+Na]+ 227.08247 154.3
[M+NH4]+ 222.12707 154.8
[M+K]+ 243.05641 150.5
[M-H]- 203.08597 147.0
[M+Na-2H]- 225.06792 149.3
[M]+ 204.09270 149.1
[M]- 204.09380 149.1
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