CID 437556

1h-indazole-3-carbonitrile

Structural Information

Molecular Formula
C8H5N3
SMILES
C1=CC=C2C(=C1)C(=NN2)C#N
InChI
InChI=1S/C8H5N3/c9-5-8-6-3-1-2-4-7(6)10-11-8/h1-4H,(H,10,11)
InChIKey
REHRQXVEAXFIML-UHFFFAOYSA-N
Compound name
1H-indazole-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

435
Patents

143.04834 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.05562 130.8
[M+Na]+ 166.03756 144.2
[M+NH4]+ 161.08216 136.2
[M+K]+ 182.01150 135.9
[M-H]- 142.04106 124.8
[M+Na-2H]- 164.02301 135.4
[M]+ 143.04779 130.2
[M]- 143.04889 130.2
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