CID 39103988

1-(1h-indazol-5-yl)ethanone

Structural Information

Molecular Formula
C9H8N2O
SMILES
CC(=O)C1=CC2=C(C=C1)NN=C2
InChI
InChI=1S/C9H8N2O/c1-6(12)7-2-3-9-8(4-7)5-10-11-9/h2-5H,1H3,(H,10,11)
InChIKey
WYLOAPVBIBQLJT-UHFFFAOYSA-N
Compound name
1-(1H-indazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

160.06366 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.070936 130.7
[M+Na]+ 183.052878 141.2
[M-H]- 159.056384 132.1
[M+NH4]+ 178.097483 151.3
[M+K]+ 199.026818 137.7
[M+H-H2O]+ 143.060920 124.2
[M+HCOO]- 205.061861 152.8
[M+CH3COO]- 219.077511 144.7
[M+Na-2H]- 181.038326 138.2
[M]+ 160.06311142 131.4
[M]- 160.06420858 131.4
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