CID 148175

Quinoline-5,6-oxide

Structural Information

Molecular Formula
C9H7NO
SMILES
C1=CC2=C(C=CC3C2O3)N=C1
InChI
InChI=1S/C9H7NO/c1-2-6-7(10-5-1)3-4-8-9(6)11-8/h1-5,8-9H
InChIKey
DUTMSHWTRSUNIF-UHFFFAOYSA-N
Compound name
1a,7b-dihydrooxireno[2,3-f]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.05276 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.060036 130.4
[M+Na]+ 168.041978 142.3
[M-H]- 144.045484 136.3
[M+NH4]+ 163.086583 146.6
[M+K]+ 184.015918 140.1
[M+H-H2O]+ 128.050020 123.3
[M+HCOO]- 190.050961 151.3
[M+CH3COO]- 204.066611 144.6
[M+Na-2H]- 166.027426 142.2
[M]+ 145.05221142 134.1
[M]- 145.05330858 134.1
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

No patent data available for this compound.