CID 4450949

8-quinolyl n-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]+ 229.097146 149.3
[M+Na]+ 251.079088 156.8
[M-H]- 227.082594 152.3
[M+NH4]+ 246.123693 166.7
[M+K]+ 267.053028 153.3
[M+H-H2O]+ 211.087130 141.6
[M+HCOO]- 273.088071 172.0
[M+CH3COO]- 287.103721 191.3
[M+Na-2H]- 249.064536 157.2
[M]+ 228.08932142 150.2
[M]- 228.09041858 150.2
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