CID 203470

Piperazine, 1,4-bis(2-ethoxyethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CCOCCN1CCN(CC1)CCOCC

InChI

InChI=1S/C12H26N2O2/c1-3-15-11-9-13-5-7-14(8-6-13)10-12-16-4-2/h3-12H2,1-2H3

InChIKey

KBSVKAJXWSUMCI-UHFFFAOYSA-N

Compound name

1,4-bis(2-ethoxyethyl)piperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 230.19943 Da
Monoisotopic Mass: 0.5
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]+	231.20671	158.0
[M+Na]+	253.18865	161.9
[M-H]-	229.19215	157.1
[M+NH4]+	248.23325	173.3
[M+K]+	269.16259	160.8
[M+H-H2O]+	213.19669	149.6
[M+HCOO]-	275.19763	175.0
[M+CH3COO]-	289.21328	192.0
[M+Na-2H]-	251.17410	160.9
[M]+	230.19888	159.0
[M]-	230.19998	159.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe