CID 154699503

Ns00117266

Structural Information

Molecular Formula
C12H13NO
SMILES
CCCC1=NC2=C(C=CC3C2O3)C=C1
InChI
InChI=1S/C12H13NO/c1-2-3-9-6-4-8-5-7-10-12(14-10)11(8)13-9/h4-7,10,12H,2-3H2,1H3
InChIKey
BDFVUGCETZCMBD-UHFFFAOYSA-N
Compound name
6-propyl-1a,7b-dihydrooxireno[2,3-h]quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

187.09972 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.106996 144.0
[M+Na]+ 210.088938 155.5
[M-H]- 186.092444 149.7
[M+NH4]+ 205.133543 158.9
[M+K]+ 226.062878 152.5
[M+H-H2O]+ 170.096980 136.6
[M+HCOO]- 232.097921 163.9
[M+CH3COO]- 246.113571 157.2
[M+Na-2H]- 208.074386 153.5
[M]+ 187.09917142 149.1
[M]- 187.10026858 149.1
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.