CID 26446

14073-00-8

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=C(C2=CC=CC=C2[N+](=C1)[O-])[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O3/c1-7-6-11(13)9-5-3-2-4-8(9)10(7)12(14)15/h2-6H,1H3
InChIKey
DSDCYTGYMIYMDL-UHFFFAOYSA-N
Compound name
3-methyl-4-nitro-1-oxidoquinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

2
Patents

204.0535 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 142.5
[M+Na]+ 227.04272 150.9
[M-H]- 203.04622 145.2
[M+NH4]+ 222.08732 159.2
[M+K]+ 243.01666 139.4
[M+H-H2O]+ 187.05076 145.1
[M+HCOO]- 249.05170 164.9
[M+CH3COO]- 263.06735 173.3
[M+Na-2H]- 225.02817 153.4
[M]+ 204.05295 139.6
[M]- 204.05405 139.6
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