CID 96698

7672-76-6

Structural Information

Molecular Formula

C₁₀H₂₂N₂O₂

SMILES

CC(CN1CCN(CC1)CC(C)O)O

InChI

InChI=1S/C10H22N2O2/c1-9(13)7-11-3-5-12(6-4-11)8-10(2)14/h9-10,13-14H,3-8H2,1-2H3

InChIKey

ZRMOLCPODIMNPJ-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxypropyl)piperazin-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 649
Patents: 202.16812 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]+	203.175396	150.9
[M+Na]+	225.157338	154.3
[M-H]-	201.160844	147.8
[M+NH4]+	220.201943	165.8
[M+K]+	241.131278	152.8
[M+H-H2O]+	185.165380	143.8
[M+HCOO]-	247.166321	163.5
[M+CH3COO]-	261.181971	182.6
[M+Na-2H]-	223.142786	151.3
[M]+	202.16757142	146.1
[M]-	202.16866858	146.1

Literature stripe

literature stripe

Patent stripe

patents stripe