CID 22591171

1h,2h,3h,4h,5h-pyrido[4,3-b]indole-6-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CNCC2=C1NC3=C2C=CC=C3C(=O)O
InChI
InChI=1S/C12H12N2O2/c15-12(16)8-3-1-2-7-9-6-13-5-4-10(9)14-11(7)8/h1-3,13-14H,4-6H2,(H,15,16)
InChIKey
APNGBPHRHHPBJU-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

216.08987 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.5
[M+Na]+ 239.07909 158.2
[M+NH4]+ 234.12369 154.2
[M+K]+ 255.05303 154.5
[M-H]- 215.08259 146.4
[M+Na-2H]- 237.06454 150.0
[M]+ 216.08932 147.8
[M]- 216.09042 147.8
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

patents stripe