CID 57473379

Tert-butyl 3-carbamothioylazetidine-1-carboxylate

Structural Information

Molecular Formula
C9H16N2O2S
SMILES
CC(C)(C)OC(=O)N1CC(C1)C(=S)N
InChI
InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)11-4-6(5-11)7(10)14/h6H,4-5H2,1-3H3,(H2,10,14)
InChIKey
FJUQCZRXSJGXAS-UHFFFAOYSA-N
Compound name
tert-butyl 3-carbamothioylazetidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

216.09325 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.10053 151.8
[M+Na]+ 239.08247 154.3
[M+NH4]+ 234.12707 153.9
[M+K]+ 255.05641 151.8
[M-H]- 215.08597 147.9
[M+Na-2H]- 237.06792 150.4
[M]+ 216.09270 149.9
[M]- 216.09380 149.9
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

patents stripe