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]+ 178.04335 133.4
[M+Na]+ 200.02529 144.1
[M-H]- 176.02879 134.6
[M+NH4]+ 195.06989 153.5
[M+K]+ 215.99923 139.1
[M+H-H2O]+ 160.03333 127.4
[M+HCOO]- 222.03427 150.9
[M+CH3COO]- 236.04992 146.6
[M+Na-2H]- 198.01074 137.8
[M]+ 177.03552 133.1
[M]- 177.03662 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