CID 14896427

Phenyl piperazine-1-carboxylate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1CN(CCN1)C(=O)OC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O2/c14-11(13-8-6-12-7-9-13)15-10-4-2-1-3-5-10/h1-5,12H,6-9H2

InChIKey

NENLIGJPMYKXNE-UHFFFAOYSA-N

Compound name

phenyl piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 145
Patents: 206.10553 Da
Monoisotopic Mass: 1.0
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]+	207.112806	146.3
[M+Na]+	229.094748	150.7
[M-H]-	205.098254	147.8
[M+NH4]+	224.139353	161.0
[M+K]+	245.068688	147.9
[M+H-H2O]+	189.102790	137.6
[M+HCOO]-	251.103731	162.8
[M+CH3COO]-	265.119381	179.6
[M+Na-2H]-	227.080196	151.3
[M]+	206.10498142	140.5
[M]-	206.10607858	140.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe