CID 154699581

Ns00117338

Structural Information

Molecular Formula

C₁₂H₁₃NO

SMILES

CCCC1=NC2=C(C=C1)C3C(O3)C=C2

InChI

InChI=1S/C12H13NO/c1-2-3-8-4-5-9-10(13-8)6-7-11-12(9)14-11/h4-7,11-12H,2-3H2,1H3

InChIKey

DZTXKZYGPUGPOX-UHFFFAOYSA-N

Compound name

5-propyl-1a,7b-dihydrooxireno[2,3-f]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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	188.10700	140.9
[M+Na]+	210.08894	157.4
[M+NH4]+	205.13354	151.6
[M+K]+	226.06288	150.9
[M-H]-	186.09244	152.2
[M+Na-2H]-	208.07439	149.6
[M]+	187.09917	147.8
[M]-	187.10027	147.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.