CID 3833115

5-(1h-indol-3-yl)-1h-pyrazole-3-carboxylic acid

Structural Information

Molecular Formula
C12H9N3O2
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NNC(=C3)C(=O)O
InChI
InChI=1S/C12H9N3O2/c16-12(17)11-5-10(14-15-11)8-6-13-9-4-2-1-3-7(8)9/h1-6,13H,(H,14,15)(H,16,17)
InChIKey
LWCOJZLPIRKQIZ-UHFFFAOYSA-N
Compound name
3-(1H-indol-3-yl)-1H-pyrazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

227.06947 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07675 147.7
[M+Na]+ 250.05869 157.7
[M-H]- 226.06219 149.0
[M+NH4]+ 245.10329 164.2
[M+K]+ 266.03263 152.1
[M+H-H2O]+ 210.06673 140.3
[M+HCOO]- 272.06767 166.8
[M+CH3COO]- 286.08332 159.6
[M+Na-2H]- 248.04414 151.3
[M]+ 227.06892 146.4
[M]- 227.07002 146.4
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

No patent data available for this compound.