CID 13978436

4-cyano-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC(=C2C(=C1)NC=C2C(=O)O)C#N
InChI
InChI=1S/C10H6N2O2/c11-4-6-2-1-3-8-9(6)7(5-12-8)10(13)14/h1-3,5,12H,(H,13,14)
InChIKey
ZQMVSPJYPSBERW-UHFFFAOYSA-N
Compound name
4-cyano-1H-indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.04292 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.050196 142.6
[M+Na]+ 209.032138 154.7
[M-H]- 185.035644 143.3
[M+NH4]+ 204.076743 160.5
[M+K]+ 225.006078 148.9
[M+H-H2O]+ 169.040180 130.1
[M+HCOO]- 231.041121 160.5
[M+CH3COO]- 245.056771 189.2
[M+Na-2H]- 207.017586 147.3
[M]+ 186.04237142 137.5
[M]- 186.04346858 137.5
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.