CID 18986

5-methoxyindole-3-acetic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=CC2=C(C=C1)NC=C2CC(=O)O
InChI
InChI=1S/C11H11NO3/c1-15-8-2-3-10-9(5-8)7(6-12-10)4-11(13)14/h2-3,5-6,12H,4H2,1H3,(H,13,14)
InChIKey
COCNDHOPIHDTHK-UHFFFAOYSA-N
Compound name
2-(5-methoxy-1H-indol-3-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

72
References

810
Patents

205.0739 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.9
[M+Na]+ 228.063118 151.6
[M-H]- 204.066624 143.3
[M+NH4]+ 223.107723 161.4
[M+K]+ 244.037058 148.0
[M+H-H2O]+ 188.071160 136.1
[M+HCOO]- 250.072101 163.4
[M+CH3COO]- 264.087751 180.4
[M+Na-2H]- 226.048566 147.2
[M]+ 205.07335142 144.1
[M]- 205.07444858 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