CID 77736

1,2,3-thiadiazol-5-amine

Structural Information

Molecular Formula
C2H3N3S
SMILES
C1=C(SN=N1)N
InChI
InChI=1S/C2H3N3S/c3-2-1-4-5-6-2/h1H,3H2
InChIKey
PVGHNTXQMCYYGF-UHFFFAOYSA-N
Compound name
thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

285
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 114.6
[M+Na]+ 123.99399 125.3
[M+NH4]+ 119.03859 123.6
[M+K]+ 139.96793 120.2
[M-H]- 99.997494 115.8
[M+Na-2H]- 121.97944 120.4
[M]+ 101.00422 116.7
[M]- 101.00532 116.7
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