CID 103795

53503-90-5

Structural Information

Molecular Formula

C₁₂H₂₆N₂O₂

SMILES

CC1CN(C(CN1CC(C)O)C)CC(C)O

InChI

InChI=1S/C12H26N2O2/c1-9-5-14(8-12(4)16)10(2)6-13(9)7-11(3)15/h9-12,15-16H,5-8H2,1-4H3

InChIKey

DTQIXUAQWTUJSV-UHFFFAOYSA-N

Compound name

1-[4-(2-hydroxypropyl)-2,5-dimethylpiperazin-1-yl]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 43
Patents: 230.19943 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]+	231.206706	159.1
[M+Na]+	253.188648	163.7
[M-H]-	229.192154	156.5
[M+NH4]+	248.233253	173.6
[M+K]+	269.162588	161.7
[M+H-H2O]+	213.196690	152.4
[M+HCOO]-	275.197631	171.1
[M+CH3COO]-	289.213281	191.1
[M+Na-2H]-	251.174096	157.2
[M]+	230.19888142	155.9
[M]-	230.19997858	155.9

Literature stripe

literature stripe

Patent stripe

patents stripe