CID 23091969

Methyl 5-methoxy-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=CC2=C(C=C1)NC=C2C(=O)OC
InChI
InChI=1S/C11H11NO3/c1-14-7-3-4-10-8(5-7)9(6-12-10)11(13)15-2/h3-6,12H,1-2H3
InChIKey
ODBFYEWPUQVAKY-UHFFFAOYSA-N
Compound name
methyl 5-methoxy-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

205.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 142.3
[M+Na]+ 228.06312 155.0
[M+NH4]+ 223.10772 149.9
[M+K]+ 244.03706 151.2
[M-H]- 204.06662 142.8
[M+Na-2H]- 226.04857 147.6
[M]+ 205.07335 144.1
[M]- 205.07445 144.1
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