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

35
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 141.6
[M+Na]+ 228.06312 151.9
[M-H]- 204.06662 144.5
[M+NH4]+ 223.10772 161.9
[M+K]+ 244.03706 149.2
[M+H-H2O]+ 188.07116 135.6
[M+HCOO]- 250.07210 164.7
[M+CH3COO]- 264.08775 182.2
[M+Na-2H]- 226.04857 147.4
[M]+ 205.07335 145.6
[M]- 205.07445 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