CID 100789

Nsc 369288

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
2
Annotation Hits

6
References

108
Patents

215.09464 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.10192 144.2
[M+Na]+ 238.08386 153.4
[M-H]- 214.08736 147.7
[M+NH4]+ 233.12846 161.9
[M+K]+ 254.05780 149.8
[M+H-H2O]+ 198.09190 137.2
[M+HCOO]- 260.09284 161.1
[M+CH3COO]- 274.10849 156.7
[M+Na-2H]- 236.06931 152.8
[M]+ 215.09409 142.8
[M]- 215.09519 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