CID 3848929

6-methoxy-1,2,3,4-tetrahydro-9h-pyrido[3,4-b]indole-1-carboxylic acid

Structural Information

Molecular Formula
C13H14N2O3
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3C(=O)O
InChI
InChI=1S/C13H14N2O3/c1-18-7-2-3-10-9(6-7)8-4-5-14-12(13(16)17)11(8)15-10/h2-3,6,12,14-15H,4-5H2,1H3,(H,16,17)
InChIKey
GHEBCEHFQAHKRP-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

348
Patents

246.10045 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.10773 153.5
[M+Na]+ 269.08967 162.0
[M-H]- 245.09317 152.7
[M+NH4]+ 264.13427 170.2
[M+K]+ 285.06361 156.8
[M+H-H2O]+ 229.09771 147.0
[M+HCOO]- 291.09865 168.3
[M+CH3COO]- 305.11430 164.2
[M+Na-2H]- 267.07512 157.6
[M]+ 246.09990 151.5
[M]- 246.10100 151.5
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