CID 1092117

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

69
Patents

205.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.9
[M+Na]+ 228.06312 154.9
[M+NH4]+ 223.10772 149.6
[M+K]+ 244.03706 151.4
[M-H]- 204.06662 142.5
[M+Na-2H]- 226.04857 147.0
[M]+ 205.07335 143.8
[M]- 205.07445 143.8
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