CID 244562

Ethyl 2-(4-methoxyphenyl)cyclopropanecarboxylate

Structural Information

Molecular Formula

C₁₃H₁₆O₃

SMILES

CCOC(=O)C1CC1C2=CC=C(C=C2)OC

InChI

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

InChIKey

LNIFCHLLDTWCIH-UHFFFAOYSA-N

Compound name

ethyl 2-(4-methoxyphenyl)cyclopropane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 51
Patents: 220.10994 Da
Monoisotopic Mass: 2.3
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]+	221.11722	147.5
[M+Na]+	243.09916	156.9
[M-H]-	219.10266	155.4
[M+NH4]+	238.14376	161.5
[M+K]+	259.07310	154.4
[M+H-H2O]+	203.10720	140.7
[M+HCOO]-	265.10814	171.1
[M+CH3COO]-	279.12379	192.5
[M+Na-2H]-	241.08461	151.6
[M]+	220.10939	153.6
[M]-	220.11049	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe