CID 261286

1,4-piperazinedipropanol

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

C1CN(CCN1CCCO)CCCO

InChI

InChI=1S/C10H22N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h13-14H,1-10H2

InChIKey

QGTJMDUCAZVEHU-UHFFFAOYSA-N

Compound name

3-[4-(3-hydroxypropyl)piperazin-1-yl]propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 203
Patents: 202.16812 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]+	203.17540	150.5
[M+Na]+	225.15734	154.3
[M-H]-	201.16084	147.1
[M+NH4]+	220.20194	165.4
[M+K]+	241.13128	151.8
[M+H-H2O]+	185.16538	143.0
[M+HCOO]-	247.16632	165.1
[M+CH3COO]-	261.18197	180.8
[M+Na-2H]-	223.14279	153.3
[M]+	202.16757	146.9
[M]-	202.16867	146.9

Literature stripe

literature stripe

Patent stripe

patents stripe