CID 18071402

9-methyl-1h,2h,3h,3ah,4h,9h,9ah-pyrrolo[3,4-b]quinolin-1-one hydrochloride

Structural Information

Molecular Formula
C12H14N2O
SMILES
CC1C2C(CNC2=O)NC3=CC=CC=C13
InChI
InChI=1S/C12H14N2O/c1-7-8-4-2-3-5-9(8)14-10-6-13-12(15)11(7)10/h2-5,7,10-11,14H,6H2,1H3,(H,13,15)
InChIKey
VWIRWASLWCIGMZ-UHFFFAOYSA-N
Compound name
9-methyl-2,3,3a,4,9,9a-hexahydropyrrolo[3,4-b]quinolin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.11061 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.117886 145.5
[M+Na]+ 225.099828 153.6
[M-H]- 201.103334 145.3
[M+NH4]+ 220.144433 164.7
[M+K]+ 241.073768 147.9
[M+H-H2O]+ 185.107870 138.9
[M+HCOO]- 247.108811 159.9
[M+CH3COO]- 261.124461 156.6
[M+Na-2H]- 223.085276 149.4
[M]+ 202.11006142 139.7
[M]- 202.11115858 139.7
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.