CID 14667723

2763755-12-8

Structural Information

Molecular Formula

C₁₄H₁₇NO₂

SMILES

CCOC(=O)C1=CCN(C1)CC2=CC=CC=C2

InChI

InChI=1S/C14H17NO2/c1-2-17-14(16)13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-8H,2,9-11H2,1H3

InChIKey

JXEUGJMMTIWQIF-UHFFFAOYSA-N

Compound name

ethyl 1-benzyl-2,5-dihydropyrrole-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 56
Patents: 231.12593 Da
Monoisotopic Mass: 1.9
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]+	232.13321	153.4
[M+Na]+	254.11515	159.8
[M-H]-	230.11865	158.4
[M+NH4]+	249.15975	171.5
[M+K]+	270.08909	157.2
[M+H-H2O]+	214.12319	145.6
[M+HCOO]-	276.12413	175.5
[M+CH3COO]-	290.13978	189.4
[M+Na-2H]-	252.10060	155.9
[M]+	231.12538	154.1
[M]-	231.12648	154.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe