CID 42281485

3-formyl-1-methyl-1h-indole-4-carboxylic acid

Structural Information

Molecular Formula
C11H9NO3
SMILES
CN1C=C(C2=C(C=CC=C21)C(=O)O)C=O
InChI
InChI=1S/C11H9NO3/c1-12-5-7(6-13)10-8(11(14)15)3-2-4-9(10)12/h2-6H,1H3,(H,14,15)
InChIKey
SRFWEFONCCXCRI-UHFFFAOYSA-N
Compound name
3-formyl-1-methylindole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 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

No literature data available for this compound.

Patent stripe

patents stripe