CID 335397

3-(methylsulfanyl)-1,2,4-oxadiazol-5-amine

Structural Information

Molecular Formula
C3H5N3OS
SMILES
CSC1=NOC(=N1)N
InChI
InChI=1S/C3H5N3OS/c1-8-3-5-2(4)7-6-3/h1H3,(H2,4,5,6)
InChIKey
QMHFEVITMKZCAB-UHFFFAOYSA-N
Compound name
3-methylsulfanyl-1,2,4-oxadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

131.01534 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.02262 121.2
[M+Na]+ 154.00456 131.8
[M-H]- 130.00806 123.4
[M+NH4]+ 149.04916 141.5
[M+K]+ 169.97850 131.4
[M+H-H2O]+ 114.01260 115.0
[M+HCOO]- 176.01354 140.4
[M+CH3COO]- 190.02919 169.7
[M+Na-2H]- 151.99001 125.8
[M]+ 131.01479 123.4
[M]- 131.01589 123.4
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.