CID 4085892

5-(oxolan-2-yl)-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C6H9N3OS
SMILES
C1CC(OC1)C2=NN=C(S2)N
InChI
InChI=1S/C6H9N3OS/c7-6-9-8-5(11-6)4-2-1-3-10-4/h4H,1-3H2,(H2,7,9)
InChIKey
OPDRNIZRTJOIEJ-UHFFFAOYSA-N
Compound name
5-(oxolan-2-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

171.04663 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 132.6
[M+Na]+ 194.035848 141.6
[M-H]- 170.039354 137.7
[M+NH4]+ 189.080453 152.8
[M+K]+ 210.009788 140.9
[M+H-H2O]+ 154.043890 126.2
[M+HCOO]- 216.044831 150.7
[M+CH3COO]- 230.060481 146.4
[M+Na-2H]- 192.021296 133.9
[M]+ 171.04608142 132.0
[M]- 171.04717858 132.0
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