CID 131751635

3-carboxy-2,3,4,9-tetrahydro-1h-pyrido[3,4-b]indole-1-propanoic acid

Structural Information

Molecular Formula
C15H16N2O4
SMILES
C1C(NC(C2=C1C3=CC=CC=C3N2)CCC(=O)O)C(=O)O
InChI
InChI=1S/C15H16N2O4/c18-13(19)6-5-11-14-9(7-12(16-11)15(20)21)8-3-1-2-4-10(8)17-14/h1-4,11-12,16-17H,5-7H2,(H,18,19)(H,20,21)
InChIKey
PPKGNUKJFFAWHY-UHFFFAOYSA-N
Compound name
1-(2-carboxyethyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.111 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 164.5
[M+Na]+ 311.10022 171.3
[M-H]- 287.10372 162.0
[M+NH4]+ 306.14482 178.3
[M+K]+ 327.07416 165.6
[M+H-H2O]+ 271.10826 158.0
[M+HCOO]- 333.10920 176.3
[M+CH3COO]- 347.12485 193.0
[M+Na-2H]- 309.08567 166.1
[M]+ 288.11045 161.5
[M]- 288.11155 161.5
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.