CID 118827285

14490-04-1

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=C2C(=CC=C1)C3=CCNC(=O)C3N2
InChI
InChI=1S/C12H12N2O/c1-7-3-2-4-8-9-5-6-13-12(15)11(9)14-10(7)8/h2-5,11,14H,6H2,1H3,(H,13,15)
InChIKey
LWGVERXPONLHEZ-UHFFFAOYSA-N
Compound name
8-methyl-2,3,9,9a-tetrahydropyrido[3,4-b]indol-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 143.9
[M+Na]+ 223.084178 153.0
[M-H]- 199.087684 144.1
[M+NH4]+ 218.128783 163.3
[M+K]+ 239.058118 147.1
[M+H-H2O]+ 183.092220 137.3
[M+HCOO]- 245.093161 159.8
[M+CH3COO]- 259.108811 155.6
[M+Na-2H]- 221.069626 148.8
[M]+ 200.09441142 139.6
[M]- 200.09550858 139.6
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.