CID 108259

Einecs 259-313-8

Structural Information

Molecular Formula

C₉H₂₁N₃O

SMILES

CC(CNCCN1CCNCC1)O

InChI

InChI=1S/C9H21N3O/c1-9(13)8-11-4-7-12-5-2-10-3-6-12/h9-11,13H,2-8H2,1H3

InChIKey

IFJMAOCMMIEGBE-UHFFFAOYSA-N

Compound name

1-(2-piperazin-1-ylethylamino)propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 187.16846 Da
Monoisotopic Mass: -1.1
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]+	188.175736	146.7
[M+Na]+	210.157678	149.0
[M-H]-	186.161184	143.3
[M+NH4]+	205.202283	161.6
[M+K]+	226.131618	146.7
[M+H-H2O]+	170.165720	139.1
[M+HCOO]-	232.166661	161.5
[M+CH3COO]-	246.182311	180.4
[M+Na-2H]-	208.143126	150.0
[M]+	187.16791142	139.6
[M]-	187.16900858	139.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe