CID 17571571

2-(5-methoxy-1h-indol-1-yl)acetic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=CC2=C(C=C1)N(C=C2)CC(=O)O
InChI
InChI=1S/C11H11NO3/c1-15-9-2-3-10-8(6-9)4-5-12(10)7-11(13)14/h2-6H,7H2,1H3,(H,13,14)
InChIKey
BNNOCRQLZYVEGV-UHFFFAOYSA-N
Compound name
2-(5-methoxyindol-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

21
Patents

205.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.4
[M+Na]+ 228.063118 151.5
[M-H]- 204.066624 144.2
[M+NH4]+ 223.107723 161.6
[M+K]+ 244.037058 148.8
[M+H-H2O]+ 188.071160 135.4
[M+HCOO]- 250.072101 164.4
[M+CH3COO]- 264.087751 182.9
[M+Na-2H]- 226.048566 147.2
[M]+ 205.07335142 145.4
[M]- 205.07444858 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