CID 265465

1,2,3-thiadiazol-4-amine hydrochloride

Structural Information

Molecular Formula
C2H3N3S
SMILES
C1=C(N=NS1)N
InChI
InChI=1S/C2H3N3S/c3-2-1-6-5-4-2/h1H,3H2
InChIKey
CUWHXIJMTMMRTI-UHFFFAOYSA-N
Compound name
thiadiazol-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

3752
Patents

101.00477 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 102.01205 113.3
[M+Na]+ 123.99399 123.5
[M-H]- 99.997494 114.7
[M+NH4]+ 119.03859 135.8
[M+K]+ 139.96793 122.1
[M+H-H2O]+ 84.002030 107.0
[M+HCOO]- 146.00297 133.4
[M+CH3COO]- 160.01862 163.7
[M+Na-2H]- 121.97944 118.4
[M]+ 101.00422 112.9
[M]- 101.00532 112.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe