CID 4450949

Quinolin-8-yl allylcarbamate

Structural Information

Molecular Formula
C13H12N2O2
SMILES
C=CCNC(=O)OC1=CC=CC2=C1N=CC=C2
InChI
InChI=1S/C13H12N2O2/c1-2-8-15-13(16)17-11-7-3-5-10-6-4-9-14-12(10)11/h2-7,9H,1,8H2,(H,15,16)
InChIKey
MEZYFDNWDDLADU-UHFFFAOYSA-N
Compound name
quinolin-8-yl N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

228.08987 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.09715 150.2
[M+Na]+ 251.07909 163.1
[M+NH4]+ 246.12369 158.0
[M+K]+ 267.05303 156.0
[M-H]- 227.08259 152.4
[M+Na-2H]- 249.06454 157.0
[M]+ 228.08932 152.5
[M]- 228.09042 152.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe