CID 11790213

122852-75-9

Structural Information

Molecular Formula
C12H12N2O
SMILES
CN1C2=C(C3=CC=CC=C31)C(=O)NCC2
InChI
InChI=1S/C12H12N2O/c1-14-9-5-3-2-4-8(9)11-10(14)6-7-13-12(11)15/h2-5H,6-7H2,1H3,(H,13,15)
InChIKey
GLHMAFAXJJECMG-UHFFFAOYSA-N
Compound name
5-methyl-3,4-dihydro-2H-pyrido[4,3-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

114
Patents

200.09496 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.102236 142.3
[M+Na]+ 223.084178 152.9
[M-H]- 199.087684 144.3
[M+NH4]+ 218.128783 162.6
[M+K]+ 239.058118 147.7
[M+H-H2O]+ 183.092220 135.5
[M+HCOO]- 245.093161 161.2
[M+CH3COO]- 259.108811 155.3
[M+Na-2H]- 221.069626 148.7
[M]+ 200.09441142 141.3
[M]- 200.09550858 141.3
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