CID 5111749

22246-16-8

Structural Information

Molecular Formula
C9H8N2O3
SMILES
C1CC(=O)NC2=C1C=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C9H8N2O3/c12-9-4-1-6-5-7(11(13)14)2-3-8(6)10-9/h2-3,5H,1,4H2,(H,10,12)
InChIKey
NQMSVHWAVMTBHK-UHFFFAOYSA-N
Compound name
6-nitro-3,4-dihydro-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

195
Patents

192.0535 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.06078 135.7
[M+Na]+ 215.04272 142.7
[M-H]- 191.04622 137.5
[M+NH4]+ 210.08732 153.3
[M+K]+ 231.01666 135.6
[M+H-H2O]+ 175.05076 133.9
[M+HCOO]- 237.05170 156.0
[M+CH3COO]- 251.06735 174.0
[M+Na-2H]- 213.02817 144.7
[M]+ 192.05295 130.6
[M]- 192.05405 130.6
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