CID 23033416

3-formyl-1h-indazole-4-carbonitrile

Structural Information

Molecular Formula
C9H5N3O
SMILES
C1=CC2=NNC(=C2C(=C1)C#N)C=O
InChI
InChI=1S/C9H5N3O/c10-4-6-2-1-3-7-9(6)8(5-13)12-11-7/h1-3,5H,(H,11,12)
InChIKey
KVSWGCCMZUFBAO-UHFFFAOYSA-N
Compound name
3-formyl-2H-indazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

171.04326 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.05054 135.4
[M+Na]+ 194.03248 148.3
[M-H]- 170.03598 135.7
[M+NH4]+ 189.07708 153.2
[M+K]+ 210.00642 142.8
[M+H-H2O]+ 154.04052 121.7
[M+HCOO]- 216.04146 154.4
[M+CH3COO]- 230.05711 147.6
[M+Na-2H]- 192.01793 142.2
[M]+ 171.04271 131.3
[M]- 171.04381 131.3
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