CID 117175321

3-(methoxymethyl)-1h-indole-5-carboxylic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
COCC1=CNC2=C1C=C(C=C2)C(=O)O
InChI
InChI=1S/C11H11NO3/c1-15-6-8-5-12-10-3-2-7(11(13)14)4-9(8)10/h2-5,12H,6H2,1H3,(H,13,14)
InChIKey
OTEWLZAFBHUUKA-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)-1H-indole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.