CID 22648284

7-methyl-3-nitroquinolin-4-ol

Structural Information

Molecular Formula
C10H8N2O3
SMILES
CC1=CC2=C(C=C1)C(=O)C(=CN2)[N+](=O)[O-]
InChI
InChI=1S/C10H8N2O3/c1-6-2-3-7-8(4-6)11-5-9(10(7)13)12(14)15/h2-5H,1H3,(H,11,13)
InChIKey
UHNGNAKCLOWVMQ-UHFFFAOYSA-N
Compound name
7-methyl-3-nitro-1H-quinolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

204.0535 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.06078 138.3
[M+Na]+ 227.04272 153.5
[M+NH4]+ 222.08732 146.5
[M+K]+ 243.01666 149.7
[M-H]- 203.04622 141.4
[M+Na-2H]- 225.02817 144.9
[M]+ 204.05295 141.2
[M]- 204.05405 141.2
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

patents stripe