CID 15684169

1-(1h-indazol-3-yl)ethanone

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC(=O)C1=NNC2=CC=CC=C21
InChI
InChI=1S/C9H8N2O/c1-6(12)9-7-4-2-3-5-8(7)10-11-9/h2-5H,1H3,(H,10,11)
InChIKey
BJEQUPDOOXOTLG-UHFFFAOYSA-N
Compound name
1-(1H-indazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

264
Patents

160.06366 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.07094 131.2
[M+Na]+ 183.05288 144.6
[M+NH4]+ 178.09748 139.5
[M+K]+ 199.02682 140.3
[M-H]- 159.05638 131.9
[M+Na-2H]- 181.03833 137.8
[M]+ 160.06311 133.2
[M]- 160.06421 133.2
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