CID 204673

5-propoxy-1,3,4-thiadiazol-2-amine

Structural Information

Molecular Formula
C5H9N3OS
SMILES
CCCOC1=NN=C(S1)N
InChI
InChI=1S/C5H9N3OS/c1-2-3-9-5-8-7-4(6)10-5/h2-3H2,1H3,(H2,6,7)
InChIKey
ZQWRZVFWBDLVBP-UHFFFAOYSA-N
Compound name
5-propoxy-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

159.04663 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.053906 129.7
[M+Na]+ 182.035848 139.4
[M-H]- 158.039354 131.0
[M+NH4]+ 177.080453 150.2
[M+K]+ 198.009788 137.6
[M+H-H2O]+ 142.043890 123.0
[M+HCOO]- 204.044831 149.2
[M+CH3COO]- 218.060481 175.8
[M+Na-2H]- 180.021296 132.7
[M]+ 159.04608142 132.2
[M]- 159.04717858 132.2
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