CID 53399664

885272-55-9

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC2=C(C=C1C3=CC=NC=C3)C=NN2
InChI
InChI=1S/C12H9N3/c1-2-12-11(8-14-15-12)7-10(1)9-3-5-13-6-4-9/h1-8H,(H,14,15)
InChIKey
CILGVAIRQUNMLT-UHFFFAOYSA-N
Compound name
5-pyridin-4-yl-1H-indazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

34
Patents

195.07965 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.086926 139.8
[M+Na]+ 218.068868 150.4
[M-H]- 194.072374 142.7
[M+NH4]+ 213.113473 157.1
[M+K]+ 234.042808 144.6
[M+H-H2O]+ 178.076910 131.0
[M+HCOO]- 240.077851 161.4
[M+CH3COO]- 254.093501 152.8
[M+Na-2H]- 216.054316 149.1
[M]+ 195.07910142 139.3
[M]- 195.08019858 139.3
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