CID 2761178

80518-57-6

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CCOC(=O)C1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C13H18N2O2/c1-2-17-13(16)11-3-5-12(6-4-11)15-9-7-14-8-10-15/h3-6,14H,2,7-10H2,1H3

InChIKey

OQEHTFFLOHTFSB-UHFFFAOYSA-N

Compound name

ethyl 4-piperazin-1-ylbenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 665
Patents: 234.13683 Da
Monoisotopic Mass: 1.4
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]+	235.14411	155.5
[M+Na]+	257.12605	167.0
[M+NH4]+	252.17065	162.6
[M+K]+	273.09999	160.8
[M-H]-	233.12955	157.4
[M+Na-2H]-	255.11150	161.6
[M]+	234.13628	157.4
[M]-	234.13738	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe