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]+ 201.10224 143.9
[M+Na]+ 223.08418 153.0
[M-H]- 199.08768 144.1
[M+NH4]+ 218.12878 163.3
[M+K]+ 239.05812 147.1
[M+H-H2O]+ 183.09222 137.3
[M+HCOO]- 245.09316 159.8
[M+CH3COO]- 259.10881 155.6
[M+Na-2H]- 221.06963 148.8
[M]+ 200.09441 139.6
[M]- 200.09551 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.