CID 5385641

Propyl p-methoxycinnamate

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CCCOC(=O)/C=C/C1=CC=C(C=C1)OC

InChI

InChI=1S/C13H16O3/c1-3-10-16-13(14)9-6-11-4-7-12(15-2)8-5-11/h4-9H,3,10H2,1-2H3/b9-6+

InChIKey

WZXKPNYMUZGZIA-RMKNXTFCSA-N

Compound name

propyl (E)-3-(4-methoxyphenyl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 6484
Patents: 220.10994 Da
Monoisotopic Mass: 3.1
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]+	221.117216	149.3
[M+Na]+	243.099158	156.4
[M-H]-	219.102664	152.8
[M+NH4]+	238.143763	168.0
[M+K]+	259.073098	154.4
[M+H-H2O]+	203.107200	143.0
[M+HCOO]-	265.108141	172.8
[M+CH3COO]-	279.123791	188.3
[M+Na-2H]-	241.084606	153.5
[M]+	220.10939142	153.3
[M]-	220.11048858	153.3

Literature stripe

literature stripe

Patent stripe

patents stripe