CID 3035111

5-amino-1,2,4-triazine-3-thiol

Structural Information

Molecular Formula
C3H4N4S
SMILES
C1=NNC(=S)N=C1N
InChI
InChI=1S/C3H4N4S/c4-2-1-5-7-3(8)6-2/h1H,(H3,4,6,7,8)
InChIKey
GNKJZJOBERYQGK-UHFFFAOYSA-N
Compound name
5-amino-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

128.01567 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.02295 120.9
[M+Na]+ 151.00489 131.4
[M-H]- 127.00839 119.6
[M+NH4]+ 146.04949 138.6
[M+K]+ 166.97883 127.2
[M+H-H2O]+ 111.01293 114.3
[M+HCOO]- 173.01387 137.3
[M+CH3COO]- 187.02952 133.9
[M+Na-2H]- 148.99034 126.8
[M]+ 128.01512 118.3
[M]- 128.01622 118.3
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