CID 201862

Niosh/tm8502000

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

C1CCN(CC1)C(CC2=CC=CC=C2)CO

InChI

InChI=1S/C14H21NO/c16-12-14(15-9-5-2-6-10-15)11-13-7-3-1-4-8-13/h1,3-4,7-8,14,16H,2,5-6,9-12H2

InChIKey

MKPWVSUPSWNGNB-UHFFFAOYSA-N

Compound name

3-phenyl-2-piperidin-1-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 219.16231 Da
Monoisotopic Mass: 2.4
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]+	220.16959	153.7
[M+Na]+	242.15153	165.4
[M+NH4]+	237.19613	162.4
[M+K]+	258.12547	158.0
[M-H]-	218.15503	157.2
[M+Na-2H]-	240.13698	160.9
[M]+	219.16176	156.3
[M]-	219.16286	156.3

Literature stripe

literature stripe

Patent stripe

patents stripe