CID 112756472

Tert-butyl 2-carbamothioyl-2,2-dimethylacetate

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CC(C)(C)OC(=O)C(C)(C)C(=S)N
InChI
InChI=1S/C9H17NO2S/c1-8(2,3)12-7(11)9(4,5)6(10)13/h1-5H3,(H2,10,13)
InChIKey
VBZRIIYWBBDXAI-UHFFFAOYSA-N
Compound name
tert-butyl 3-amino-2,2-dimethyl-3-sulfanylidenepropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10528 150.5
[M+Na]+ 226.08722 157.0
[M+NH4]+ 221.13182 156.6
[M+K]+ 242.06116 152.9
[M-H]- 202.09072 147.9
[M+Na-2H]- 224.07267 151.0
[M]+ 203.09745 150.9
[M]- 203.09855 150.9
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

No patent data available for this compound.