CID 53418085

6-methoxy-3-methyl-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC1=C(NC2=C1C=CC(=C2)OC)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-6-8-4-3-7(15-2)5-9(8)12-10(6)11(13)14/h3-5,12H,1-2H3,(H,13,14)
InChIKey
GAXRKJWZFDHHJC-UHFFFAOYSA-N
Compound name
6-methoxy-3-methyl-1H-indole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

42
Patents

205.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 141.6
[M+Na]+ 228.06312 152.3
[M-H]- 204.06662 143.4
[M+NH4]+ 223.10772 161.4
[M+K]+ 244.03706 148.7
[M+H-H2O]+ 188.07116 136.2
[M+HCOO]- 250.07210 163.1
[M+CH3COO]- 264.08775 181.7
[M+Na-2H]- 226.04857 146.3
[M]+ 205.07335 144.2
[M]- 205.07445 144.2
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