CID 124505616

3-formyl-1-methyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CN1C=C(C2=C1C(=CC=C2)C(=O)O)C=O
InChI
InChI=1S/C11H9NO3/c1-12-5-7(6-13)8-3-2-4-9(10(8)12)11(14)15/h2-6H,1H3,(H,14,15)
InChIKey
OBBQNZXBAMVGKR-UHFFFAOYSA-N
Compound name
3-formyl-1-methylindole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.05824 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.06552 139.7
[M+Na]+ 226.04746 151.1
[M-H]- 202.05096 143.0
[M+NH4]+ 221.09206 160.3
[M+K]+ 242.02140 147.8
[M+H-H2O]+ 186.05550 134.1
[M+HCOO]- 248.05644 163.0
[M+CH3COO]- 262.07209 183.3
[M+Na-2H]- 224.03291 144.9
[M]+ 203.05769 143.5
[M]- 203.05879 143.5
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.