CID 201594

6308-85-6

Structural Information

Molecular Formula

C₉H₁₇ClN₂O₂

SMILES

CCOC(=O)N1CCN(CC1)CCCl

InChI

InChI=1S/C9H17ClN2O2/c1-2-14-9(13)12-7-5-11(4-3-10)6-8-12/h2-8H2,1H3

InChIKey

QXFLHYYXOQKRBC-UHFFFAOYSA-N

Compound name

ethyl 4-(2-chloroethyl)piperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 220.09785 Da
Monoisotopic Mass: 0.9
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]+	221.10513	148.8
[M+Na]+	243.08707	154.9
[M-H]-	219.09057	148.6
[M+NH4]+	238.13167	165.4
[M+K]+	259.06101	152.5
[M+H-H2O]+	203.09511	141.9
[M+HCOO]-	265.09605	161.5
[M+CH3COO]-	279.11170	185.4
[M+Na-2H]-	241.07252	151.7
[M]+	220.09730	149.0
[M]-	220.09840	149.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe