CID 361129

20806-94-4

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1C(N=CC2=C1C3=CC=CC=C3N2)C(=O)O
InChI
InChI=1S/C12H10N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,6,10,14H,5H2,(H,15,16)
InChIKey
WTIULJWJWHZPQJ-UHFFFAOYSA-N
Compound name
4,9-dihydro-3H-pyrido[3,4-b]indole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

214.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 144.2
[M+Na]+ 237.06345 153.9
[M-H]- 213.06695 144.9
[M+NH4]+ 232.10805 162.7
[M+K]+ 253.03739 148.8
[M+H-H2O]+ 197.07149 137.4
[M+HCOO]- 259.07243 162.2
[M+CH3COO]- 273.08808 156.4
[M+Na-2H]- 235.04890 150.8
[M]+ 214.07368 143.2
[M]- 214.07478 143.2
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