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

40
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 129.7
[M+Na]+ 182.03585 139.4
[M-H]- 158.03935 131.0
[M+NH4]+ 177.08045 150.2
[M+K]+ 198.00979 137.6
[M+H-H2O]+ 142.04389 123.0
[M+HCOO]- 204.04483 149.2
[M+CH3COO]- 218.06048 175.8
[M+Na-2H]- 180.02130 132.7
[M]+ 159.04608 132.2
[M]- 159.04718 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