CID 145879

6649-91-8

Structural Information

Molecular Formula
C12H12N2O2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C12H12N2O2/c15-12(16)11-10-8(5-6-13-11)7-3-1-2-4-9(7)14-10/h1-4,11,13-14H,5-6H2,(H,15,16)
InChIKey
XGCIVVYTCDKDLC-UHFFFAOYSA-N
Compound name
2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

127
Patents

216.08987 Da
Monoisotopic Mass

-1.0
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

literature stripe

Patent stripe

patents stripe