CID 263426

(1xi,3s)-1,2,3,4-tetrahydro-1-methyl-beta-carboline-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C14H14N2O4
SMILES
CC1(C2=C(CC(N1)C(=O)O)C3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C14H14N2O4/c1-14(13(19)20)11-8(6-10(16-14)12(17)18)7-4-2-3-5-9(7)15-11/h2-5,10,15-16H,6H2,1H3,(H,17,18)(H,19,20)
InChIKey
ZKGAKYZRRFOFGK-UHFFFAOYSA-N
Compound name
1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

274.09537 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.102646 160.9
[M+Na]+ 297.084588 169.4
[M-H]- 273.088094 159.1
[M+NH4]+ 292.129193 177.5
[M+K]+ 313.058528 164.0
[M+H-H2O]+ 257.092630 155.3
[M+HCOO]- 319.093571 173.2
[M+CH3COO]- 333.109221 189.6
[M+Na-2H]- 295.070036 164.3
[M]+ 274.09482142 158.1
[M]- 274.09591858 158.1
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