CID 244725

1,2,3,4-thiatriazol-5-amine

Structural Information

Molecular Formula
CH2N4S
SMILES
C1(=NN=NS1)N
InChI
InChI=1S/CH2N4S/c2-1-3-4-5-6-1/h(H2,2,3,5)
InChIKey
NFSGFYBDMKUQJA-UHFFFAOYSA-N
Compound name
thiatriazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

193
Patents

102.000015 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.00729 112.9
[M+Na]+ 124.98923 123.6
[M-H]- 100.99274 113.1
[M+NH4]+ 120.03384 134.0
[M+K]+ 140.96317 122.4
[M+H-H2O]+ 84.997275 106.1
[M+HCOO]- 146.99822 132.1
[M+CH3COO]- 161.01387 127.4
[M+Na-2H]- 122.97468 118.4
[M]+ 101.99947 112.7
[M]- 102.00056 112.7
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