CID 6452337

51085-95-1

Structural Information

Molecular Formula
C11H10N2O2
SMILES
C1CNC(=O)C2=C1C3=C(N2)C=CC(=C3)O
InChI
InChI=1S/C11H10N2O2/c14-6-1-2-9-8(5-6)7-3-4-12-11(15)10(7)13-9/h1-2,5,13-14H,3-4H2,(H,12,15)
InChIKey
WNGPRJOWLUNBCE-UHFFFAOYSA-N
Compound name
6-hydroxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

18
Patents

202.07423 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.081506 141.3
[M+Na]+ 225.063448 151.4
[M-H]- 201.066954 140.8
[M+NH4]+ 220.108053 160.0
[M+K]+ 241.037388 145.3
[M+H-H2O]+ 185.071490 135.2
[M+HCOO]- 247.072431 157.7
[M+CH3COO]- 261.088081 153.2
[M+Na-2H]- 223.048896 147.5
[M]+ 202.07368142 137.9
[M]- 202.07477858 137.9
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