CID 12624616

127553-60-0

Structural Information

Molecular Formula

C₈H₁₆ClNO

SMILES

C1CCN(CC1)CC(CCl)O

InChI

InChI=1S/C8H16ClNO/c9-6-8(11)7-10-4-2-1-3-5-10/h8,11H,1-7H2

InChIKey

IGMZDGBNMCELOE-UHFFFAOYSA-N

Compound name

1-chloro-3-piperidin-1-ylpropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 131
Patents: 177.09204 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]+	178.099316	139.2
[M+Na]+	200.081258	143.9
[M-H]-	176.084764	138.7
[M+NH4]+	195.125863	157.8
[M+K]+	216.055198	141.0
[M+H-H2O]+	160.089300	133.7
[M+HCOO]-	222.090241	151.5
[M+CH3COO]-	236.105891	176.1
[M+Na-2H]-	198.066706	142.7
[M]+	177.09149142	135.7
[M]-	177.09258858	135.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe