CID 131360430

3-cyano-1-methyl-1h-indole-6-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O2
SMILES
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C#N
InChI
InChI=1S/C11H8N2O2/c1-13-6-8(5-12)9-3-2-7(11(14)15)4-10(9)13/h2-4,6H,1H3,(H,14,15)
InChIKey
IEMPLRHXVVFUBY-UHFFFAOYSA-N
Compound name
3-cyano-1-methylindole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.05858 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.06586 142.4
[M+Na]+ 223.04780 154.9
[M+NH4]+ 218.09240 146.7
[M+K]+ 239.02174 147.8
[M-H]- 199.05130 135.9
[M+Na-2H]- 221.03325 145.2
[M]+ 200.05803 141.4
[M]- 200.05913 141.4
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.