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 165.3
[M+Na]+ 311.10022 174.8
[M+NH4]+ 306.14482 170.5
[M+K]+ 327.07416 172.8
[M-H]- 287.10372 163.2
[M+Na-2H]- 309.08567 165.8
[M]+ 288.11045 165.5
[M]- 288.11155 165.5
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.