CID 6479253

Methyl (e)-3-(2-quinolinyl)-2-propenoate

Structural Information

Molecular Formula
C13H11NO2
SMILES
COC(=O)/C=C/C1=NC2=CC=CC=C2C=C1
InChI
InChI=1S/C13H11NO2/c1-16-13(15)9-8-11-7-6-10-4-2-3-5-12(10)14-11/h2-9H,1H3/b9-8+
InChIKey
JZHPAMDTRMIGJP-CMDGGOBGSA-N
Compound name
methyl (E)-3-quinolin-2-ylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

213.07898 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.08626 145.5
[M+Na]+ 236.06820 154.0
[M-H]- 212.07170 148.7
[M+NH4]+ 231.11280 163.9
[M+K]+ 252.04214 150.5
[M+H-H2O]+ 196.07624 138.3
[M+HCOO]- 258.07718 167.2
[M+CH3COO]- 272.09283 186.4
[M+Na-2H]- 234.05365 153.0
[M]+ 213.07843 147.2
[M]- 213.07953 147.2
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

patents stripe