CID 148175

(+-)-5,6-epoxy-5,6-dihydroquinoline

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]+ 146.06004 130.4
[M+Na]+ 168.04198 142.3
[M-H]- 144.04548 136.3
[M+NH4]+ 163.08658 146.6
[M+K]+ 184.01592 140.1
[M+H-H2O]+ 128.05002 123.3
[M+HCOO]- 190.05096 151.3
[M+CH3COO]- 204.06661 144.6
[M+Na-2H]- 166.02743 142.2
[M]+ 145.05221 134.1
[M]- 145.05331 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.