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

16
Patents

159.04663 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 160.05391 131.3
[M+Na]+ 182.03585 141.3
[M+NH4]+ 177.08045 139.2
[M+K]+ 198.00979 136.2
[M-H]- 158.03935 132.0
[M+Na-2H]- 180.02130 135.7
[M]+ 159.04608 133.1
[M]- 159.04718 133.1
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