CID 84076404

6-methoxy-1-methyl-1h-indole-7-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1C=CC2=C1C(=C(C=C2)OC)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-6-5-7-3-4-8(15-2)9(10(7)12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
LXOOCVJJMHZKCH-UHFFFAOYSA-N
Compound name
6-methoxy-1-methylindole-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 140.9
[M+Na]+ 228.063118 152.0
[M-H]- 204.066624 144.2
[M+NH4]+ 223.107723 161.5
[M+K]+ 244.037058 149.4
[M+H-H2O]+ 188.071160 135.3
[M+HCOO]- 250.072101 164.0
[M+CH3COO]- 264.087751 184.1
[M+Na-2H]- 226.048566 146.1
[M]+ 205.07335142 145.4
[M]- 205.07444858 145.4
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.