CID 34176418

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

Structural Information

Molecular Formula
C10H6N2O2
SMILES
C1=CC(=C2C(=C1)C(=CN2)C(=O)O)C#N
InChI
InChI=1S/C10H6N2O2/c11-4-6-2-1-3-7-8(10(13)14)5-12-9(6)7/h1-3,5,12H,(H,13,14)
InChIKey
ZADAEINCNCNJPT-UHFFFAOYSA-N
Compound name
7-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]+ 187.05020 140.0
[M+Na]+ 209.03214 151.9
[M+NH4]+ 204.07674 144.1
[M+K]+ 225.00608 145.0
[M-H]- 185.03564 133.0
[M+Na-2H]- 207.01759 142.6
[M]+ 186.04237 138.7
[M]- 186.04347 138.7
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.