CID 100789

6,7,8,9-tetrahydro-4-methyl-2h-pyrano[3,2-g]quinolin-2-one

Structural Information

Molecular Formula
C13H13NO2
SMILES
CC1=CC(=O)OC2=C1C=C3CCCNC3=C2
InChI
InChI=1S/C13H13NO2/c1-8-5-13(15)16-12-7-11-9(6-10(8)12)3-2-4-14-11/h5-7,14H,2-4H2,1H3
InChIKey
PZTQNUMZYIQRGY-UHFFFAOYSA-N
Compound name
4-methyl-6,7,8,9-tetrahydropyrano[3,2-g]quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

94
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.101916 144.2
[M+Na]+ 238.083858 153.4
[M-H]- 214.087364 147.7
[M+NH4]+ 233.128463 161.9
[M+K]+ 254.057798 149.8
[M+H-H2O]+ 198.091900 137.2
[M+HCOO]- 260.092841 161.1
[M+CH3COO]- 274.108491 156.7
[M+Na-2H]- 236.069306 152.8
[M]+ 215.09409142 142.8
[M]- 215.09518858 142.8
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