CID 688172

Methyl 4-methoxy-1h-indole-2-carboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=CC=CC2=C1C=C(N2)C(=O)OC
InChI
InChI=1S/C11H11NO3/c1-14-10-5-3-4-8-7(10)6-9(12-8)11(13)15-2/h3-6,12H,1-2H3
InChIKey
GLCZQTLCVLVFGV-UHFFFAOYSA-N
Compound name
methyl 4-methoxy-1H-indole-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

253
Patents

205.0739 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.6
[M+Na]+ 228.063118 151.9
[M-H]- 204.066624 144.5
[M+NH4]+ 223.107723 161.9
[M+K]+ 244.037058 149.2
[M+H-H2O]+ 188.071160 135.6
[M+HCOO]- 250.072101 164.7
[M+CH3COO]- 264.087751 182.2
[M+Na-2H]- 226.048566 147.4
[M]+ 205.07335142 145.6
[M]- 205.07444858 145.6
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