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 145.8
[M+Na]+ 239.07909 154.1
[M-H]- 215.08259 144.8
[M+NH4]+ 234.12369 163.5
[M+K]+ 255.05303 148.3
[M+H-H2O]+ 199.08713 139.3
[M+HCOO]- 261.08807 160.8
[M+CH3COO]- 275.10372 156.7
[M+Na-2H]- 237.06454 151.0
[M]+ 216.08932 141.6
[M]- 216.09042 141.6
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