CID 466899

Propyl 2-cyano-2h-quinoline-1-carboxylate

Structural Information

Molecular Formula

C₁₄H₁₄N₂O₂

SMILES

CCCOC(=O)N1C(C=CC2=CC=CC=C21)C#N

InChI

InChI=1S/C14H14N2O2/c1-2-9-18-14(17)16-12(10-15)8-7-11-5-3-4-6-13(11)16/h3-8,12H,2,9H2,1H3

InChIKey

GZVUYTZZFJJPEB-UHFFFAOYSA-N

Compound name

propyl 2-cyano-2H-quinoline-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 0
Patents: 242.10553 Da
Monoisotopic Mass: 2.9
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]+	243.112806	155.0
[M+Na]+	265.094748	164.7
[M-H]-	241.098254	157.0
[M+NH4]+	260.139353	170.4
[M+K]+	281.068688	159.8
[M+H-H2O]+	225.102790	141.2
[M+HCOO]-	287.103731	171.3
[M+CH3COO]-	301.119381	204.0
[M+Na-2H]-	263.080196	159.6
[M]+	242.10498142	151.1
[M]-	242.10607858	151.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.