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]+ 217.097146 145.8
[M+Na]+ 239.079088 154.1
[M-H]- 215.082594 144.8
[M+NH4]+ 234.123693 163.5
[M+K]+ 255.053028 148.3
[M+H-H2O]+ 199.087130 139.3
[M+HCOO]- 261.088071 160.8
[M+CH3COO]- 275.103721 156.7
[M+Na-2H]- 237.064536 151.0
[M]+ 216.08932142 141.6
[M]- 216.09041858 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