CID 131360433

3-cyano-1-methyl-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C11H8N2O2
SMILES
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C#N
InChI
InChI=1S/C11H8N2O2/c1-13-6-8(5-12)9-4-7(11(14)15)2-3-10(9)13/h2-4,6H,1H3,(H,14,15)
InChIKey
BQUCRZONTDHVND-UHFFFAOYSA-N
Compound name
3-cyano-1-methylindole-5-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 144.9
[M+Na]+ 223.04780 157.8
[M-H]- 199.05130 147.0
[M+NH4]+ 218.09240 163.2
[M+K]+ 239.02174 152.7
[M+H-H2O]+ 183.05584 132.3
[M+HCOO]- 245.05678 163.9
[M+CH3COO]- 259.07243 195.3
[M+Na-2H]- 221.03325 149.1
[M]+ 200.05803 142.2
[M]- 200.05913 142.2
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.