CID 12262775

1h-indazole-3-carbothioamide

Structural Information

Molecular Formula
C8H7N3S
SMILES
C1=CC=C2C(=C1)C(=NN2)C(=S)N
InChI
InChI=1S/C8H7N3S/c9-8(12)7-5-3-1-2-4-6(5)10-11-7/h1-4H,(H2,9,12)(H,10,11)
InChIKey
YFXRXRMNOOOQSS-UHFFFAOYSA-N
Compound name
1H-indazole-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

177.03607 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.043346 133.4
[M+Na]+ 200.025288 144.1
[M-H]- 176.028794 134.6
[M+NH4]+ 195.069893 153.5
[M+K]+ 215.999228 139.1
[M+H-H2O]+ 160.033330 127.4
[M+HCOO]- 222.034271 150.9
[M+CH3COO]- 236.049921 146.6
[M+Na-2H]- 198.010736 137.8
[M]+ 177.03552142 133.1
[M]- 177.03661858 133.1
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