CID 3050618

9h-pyrido(3,4-b)indole-8-acetic acid, 1,2,3,4-tetrahydro-1-oxo-

Structural Information

Molecular Formula
C13H12N2O3
SMILES
C1CNC(=O)C2=C1C3=CC=CC(=C3N2)CC(=O)O
InChI
InChI=1S/C13H12N2O3/c16-10(17)6-7-2-1-3-8-9-4-5-14-13(18)12(9)15-11(7)8/h1-3,15H,4-6H2,(H,14,18)(H,16,17)
InChIKey
MAEISYZMHCEKCL-UHFFFAOYSA-N
Compound name
2-(1-oxo-2,3,4,9-tetrahydropyrido[3,4-b]indol-8-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.0848 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.09208 153.4
[M+Na]+ 267.07402 164.9
[M+NH4]+ 262.11862 160.1
[M+K]+ 283.04796 161.6
[M-H]- 243.07752 152.7
[M+Na-2H]- 265.05947 155.9
[M]+ 244.08425 154.5
[M]- 244.08535 154.5
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.