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 147.6
[M+Na]+ 227.08247 152.3
[M-H]- 203.08597 147.3
[M+NH4]+ 222.12707 166.2
[M+K]+ 243.05641 151.4
[M+H-H2O]+ 187.09051 142.0
[M+HCOO]- 249.09145 162.7
[M+CH3COO]- 263.10710 189.1
[M+Na-2H]- 225.06792 147.1
[M]+ 204.09270 147.7
[M]- 204.09380 147.7
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