CID 18669479

1h-pyrazole-5-carbothioamide

Structural Information

Molecular Formula
C4H5N3S
SMILES
C1=C(NN=C1)C(=S)N
InChI
InChI=1S/C4H5N3S/c5-4(8)3-1-2-6-7-3/h1-2H,(H2,5,8)(H,6,7)
InChIKey
HQGBNXIKIHVWIR-UHFFFAOYSA-N
Compound name
1H-pyrazole-5-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

101
Patents

127.02042 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.02770 123.4
[M+Na]+ 150.00964 132.8
[M+NH4]+ 145.05424 131.3
[M+K]+ 165.98358 128.3
[M-H]- 126.01314 123.6
[M+Na-2H]- 147.99509 127.7
[M]+ 127.01987 124.9
[M]- 127.02097 124.9
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