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

15
Patents

142.03131 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.03859 126.2
[M+Na]+ 165.02053 135.0
[M-H]- 141.02403 125.8
[M+NH4]+ 160.06513 145.8
[M+K]+ 180.99447 131.4
[M+H-H2O]+ 125.02857 119.7
[M+HCOO]- 187.02951 143.6
[M+CH3COO]- 201.04516 172.6
[M+Na-2H]- 163.00598 127.6
[M]+ 142.03076 122.0
[M]- 142.03186 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