CID 12789150

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

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1C(NCC2=C1C3=C(N2)C=CC(=C3)O)C(=O)O
InChI
InChI=1S/C12H12N2O3/c15-6-1-2-9-7(3-6)8-4-10(12(16)17)13-5-11(8)14-9/h1-3,10,13-15H,4-5H2,(H,16,17)
InChIKey
UYSJXVJOZSYXFJ-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

232.0848 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 149.2
[M+Na]+ 255.07402 157.8
[M-H]- 231.07752 147.3
[M+NH4]+ 250.11862 165.8
[M+K]+ 271.04796 152.0
[M+H-H2O]+ 215.08206 143.2
[M+HCOO]- 277.08300 162.9
[M+CH3COO]- 291.09865 159.7
[M+Na-2H]- 253.05947 153.4
[M]+ 232.08425 145.2
[M]- 232.08535 145.2
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