CID 205041

1,4-bis(isopropoxyacetyl)piperazine

Structural Information

Molecular Formula

C₁₄H₂₆N₂O₄

SMILES

CC(C)OCC(=O)N1CCN(CC1)C(=O)COC(C)C

InChI

InChI=1S/C14H26N2O4/c1-11(2)19-9-13(17)15-5-7-16(8-6-15)14(18)10-20-12(3)4/h11-12H,5-10H2,1-4H3

InChIKey

BTLCBGDIKOJAQS-UHFFFAOYSA-N

Compound name

2-propan-2-yloxy-1-[4-(2-propan-2-yloxyacetyl)piperazin-1-yl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 286.18927 Da
Monoisotopic Mass: 0.4
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]+	287.196546	169.2
[M+Na]+	309.178488	172.0
[M-H]-	285.181994	168.6
[M+NH4]+	304.223093	181.9
[M+K]+	325.152428	172.2
[M+H-H2O]+	269.186530	161.2
[M+HCOO]-	331.187471	182.6
[M+CH3COO]-	345.203121	202.6
[M+Na-2H]-	307.163936	166.7
[M]+	286.18872142	169.9
[M]-	286.18981858	169.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe