CID 2771740

Ethyl 3-phenylpiperazine-1-carboxylate

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₂

SMILES

CCOC(=O)N1CCNC(C1)C2=CC=CC=C2

InChI

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

InChIKey

XTUSUBACDGCSGD-UHFFFAOYSA-N

Compound name

ethyl 3-phenylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
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]+	235.144106	155.4
[M+Na]+	257.126048	159.9
[M-H]-	233.129554	156.9
[M+NH4]+	252.170653	169.2
[M+K]+	273.099988	156.6
[M+H-H2O]+	217.134090	146.5
[M+HCOO]-	279.135031	171.2
[M+CH3COO]-	293.150681	186.7
[M+Na-2H]-	255.111496	158.6
[M]+	234.13628142	150.7
[M]-	234.13737858	150.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe