CID 87372

17952-87-3

Structural Information

Molecular Formula
C12H12N2O2
SMILES
COC1=CC2=C(C=C1)NC3=C2CCNC3=O
InChI
InChI=1S/C12H12N2O2/c1-16-7-2-3-10-9(6-7)8-4-5-13-12(15)11(8)14-10/h2-3,6,14H,4-5H2,1H3,(H,13,15)
InChIKey
PWARHDUWOJUADN-UHFFFAOYSA-N
Compound name
6-methoxy-2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

31
Patents

216.08987 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.09715 146.3
[M+Na]+ 239.07909 159.4
[M+NH4]+ 234.12369 154.6
[M+K]+ 255.05303 154.7
[M-H]- 215.08259 147.1
[M+Na-2H]- 237.06454 150.5
[M]+ 216.08932 148.2
[M]- 216.09042 148.2
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

No patent data available for this compound.