CID 218282

40431-45-6

Structural Information

Molecular Formula

C₁₃H₁₄N₂O₂

SMILES

CN1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C13H14N2O2/c1-15-5-4-12-10(7-15)9-6-8(13(16)17)2-3-11(9)14-12/h2-3,6,14H,4-5,7H2,1H3,(H,16,17)

InChIKey

OTTRGAKRWFQDPD-UHFFFAOYSA-N

Compound name

2-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 25
Patents: 230.10553 Da
Monoisotopic Mass: -0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	231.112806	150.6
[M+Na]+	253.094748	159.7
[M-H]-	229.098254	151.1
[M+NH4]+	248.139353	168.7
[M+K]+	269.068688	154.6
[M+H-H2O]+	213.102790	143.9
[M+HCOO]-	275.103731	166.7
[M+CH3COO]-	289.119381	162.1
[M+Na-2H]-	251.080196	154.9
[M]+	230.10498142	148.9
[M]-	230.10607858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe