CID 257407

32229-98-4

Structural Information

Molecular Formula

C₁₃H₁₉ClN₂O

SMILES

C1CN(CCN1CCCO)C2=CC(=CC=C2)Cl

InChI

InChI=1S/C13H19ClN2O/c14-12-3-1-4-13(11-12)16-8-6-15(7-9-16)5-2-10-17/h1,3-4,11,17H,2,5-10H2

InChIKey

MHOVZUZZHTZBSV-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 254.11859 Da
Monoisotopic Mass: 2.2
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]+	255.12587	158.6
[M+Na]+	277.10781	164.6
[M-H]-	253.11131	159.9
[M+NH4]+	272.15241	172.8
[M+K]+	293.08175	159.1
[M+H-H2O]+	237.11585	150.3
[M+HCOO]-	299.11679	170.3
[M+CH3COO]-	313.13244	190.8
[M+Na-2H]-	275.09326	161.7
[M]+	254.11804	156.2
[M]-	254.11914	156.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe