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

143
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 122.8
[M+Na]+ 150.00964 131.7
[M-H]- 126.01314 122.6
[M+NH4]+ 145.05424 143.4
[M+K]+ 165.98358 128.7
[M+H-H2O]+ 110.01768 116.5
[M+HCOO]- 172.01862 140.0
[M+CH3COO]- 186.03427 167.0
[M+Na-2H]- 147.99509 125.3
[M]+ 127.01987 120.0
[M]- 127.02097 120.0
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