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]+ 203.11789 145.5
[M+Na]+ 225.09983 153.6
[M-H]- 201.10333 145.3
[M+NH4]+ 220.14443 164.7
[M+K]+ 241.07377 147.9
[M+H-H2O]+ 185.10787 138.9
[M+HCOO]- 247.10881 159.9
[M+CH3COO]- 261.12446 156.6
[M+Na-2H]- 223.08528 149.4
[M]+ 202.11006 139.7
[M]- 202.11116 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.