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]+ 188.10700 144.0
[M+Na]+ 210.08894 155.5
[M-H]- 186.09244 149.7
[M+NH4]+ 205.13354 158.9
[M+K]+ 226.06288 152.5
[M+H-H2O]+ 170.09698 136.6
[M+HCOO]- 232.09792 163.9
[M+CH3COO]- 246.11357 157.2
[M+Na-2H]- 208.07439 153.5
[M]+ 187.09917 149.1
[M]- 187.10027 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.