CID 335850

Nsc347508

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CC(C)(C)C1=NN=C(O1)SC(=O)N(C)C
InChI
InChI=1S/C9H15N3O2S/c1-9(2,3)6-10-11-7(14-6)15-8(13)12(4)5/h1-5H3
InChIKey
NTGVFRHRSOBFQY-UHFFFAOYSA-N
Compound name
S-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)] N,N-dimethylcarbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 152.3
[M+Na]+ 252.07772 160.9
[M-H]- 228.08122 156.2
[M+NH4]+ 247.12232 169.8
[M+K]+ 268.05166 161.6
[M+H-H2O]+ 212.08576 145.7
[M+HCOO]- 274.08670 168.7
[M+CH3COO]- 288.10235 192.3
[M+Na-2H]- 250.06317 154.3
[M]+ 229.08795 158.4
[M]- 229.08905 158.4
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.