CID 4777913

3-formyl-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CN1C2=CC=CC=C2C(=C1C(=O)O)C=O
InChI
InChI=1S/C11H9NO3/c1-12-9-5-3-2-4-7(9)8(6-13)10(12)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey
XYANKXSPJQBIDM-UHFFFAOYSA-N
Compound name
3-formyl-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

203.05824 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 141.2
[M+Na]+ 226.04746 154.3
[M+NH4]+ 221.09206 148.6
[M+K]+ 242.02140 150.7
[M-H]- 202.05096 141.6
[M+Na-2H]- 224.03291 146.2
[M]+ 203.05769 143.0
[M]- 203.05879 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe