CID 8027117

5-amino-1h-pyrazole-4-carbothioamide

Structural Information

Molecular Formula
C4H6N4S
SMILES
C1=NNC(=C1C(=S)N)N
InChI
InChI=1S/C4H6N4S/c5-3-2(4(6)9)1-7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChIKey
VRWNWVXHINBCSC-UHFFFAOYSA-N
Compound name
5-amino-1H-pyrazole-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

142.03131 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.038586 126.2
[M+Na]+ 165.020528 135.0
[M-H]- 141.024034 125.8
[M+NH4]+ 160.065133 145.8
[M+K]+ 180.994468 131.4
[M+H-H2O]+ 125.028570 119.7
[M+HCOO]- 187.029511 143.6
[M+CH3COO]- 201.045161 172.6
[M+Na-2H]- 163.005976 127.6
[M]+ 142.03076142 122.0
[M]- 142.03185858 122.0
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