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

44
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 140.9
[M+Na]+ 228.06312 152.0
[M-H]- 204.06662 144.2
[M+NH4]+ 223.10772 161.5
[M+K]+ 244.03706 149.4
[M+H-H2O]+ 188.07116 135.3
[M+HCOO]- 250.07210 164.0
[M+CH3COO]- 264.08775 184.1
[M+Na-2H]- 226.04857 146.1
[M]+ 205.07335 145.4
[M]- 205.07445 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