CID 67491380

3-cyano-1h-indazole-6-carboxylic acid

Structural Information

Molecular Formula
C9H5N3O2
SMILES
C1=CC2=C(C=C1C(=O)O)NN=C2C#N
InChI
InChI=1S/C9H5N3O2/c10-4-8-6-2-1-5(9(13)14)3-7(6)11-12-8/h1-3H,(H,11,12)(H,13,14)
InChIKey
FPWDNADXYRGXRR-UHFFFAOYSA-N
Compound name
3-cyano-1H-indazole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

187.03818 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.04546 140.4
[M+Na]+ 210.02740 152.5
[M-H]- 186.03090 139.7
[M+NH4]+ 205.07200 156.9
[M+K]+ 226.00134 147.3
[M+H-H2O]+ 170.03544 127.0
[M+HCOO]- 232.03638 157.3
[M+CH3COO]- 246.05203 151.6
[M+Na-2H]- 208.01285 145.7
[M]+ 187.03763 135.4
[M]- 187.03873 135.4
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