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]+ 204.105276 146.8
[M+Na]+ 226.087218 152.6
[M-H]- 202.090724 146.6
[M+NH4]+ 221.131823 165.9
[M+K]+ 242.061158 151.5
[M+H-H2O]+ 186.095260 142.2
[M+HCOO]- 248.096201 160.2
[M+CH3COO]- 262.111851 187.3
[M+Na-2H]- 224.072666 147.6
[M]+ 203.09745142 148.4
[M]- 203.09854858 148.4
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.