CID 647460

5-methoxy-1-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CN1C2=C(C=C(C=C2)OC)C=C1C(=O)O
InChI
InChI=1S/C11H11NO3/c1-12-9-4-3-8(15-2)5-7(9)6-10(12)11(13)14/h3-6H,1-2H3,(H,13,14)
InChIKey
PLXRUBZTKAYNKQ-UHFFFAOYSA-N
Compound name
5-methoxy-1-methylindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

45
Patents

205.0739 Da
Monoisotopic Mass

2.0
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

literature stripe

Patent stripe

patents stripe