CID 215989

Brn 1244149

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC(CO)C1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C14H21NO/c1-12(11-16)13-5-7-14(8-6-13)15-9-3-2-4-10-15/h5-8,12,16H,2-4,9-11H2,1H3

InChIKey

CMKCDABRMLPWQJ-UHFFFAOYSA-N

Compound name

2-(4-piperidin-1-ylphenyl)propan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 219.16231 Da
Monoisotopic Mass: 2.8
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	152.7
[M+Na]+	242.15153	156.4
[M-H]-	218.15503	155.5
[M+NH4]+	237.19613	168.6
[M+K]+	258.12547	153.1
[M+H-H2O]+	202.15957	144.9
[M+HCOO]-	264.16051	169.2
[M+CH3COO]-	278.17616	187.1
[M+Na-2H]-	240.13698	155.4
[M]+	219.16176	147.3
[M]-	219.16286	147.3

Literature stripe

literature stripe

Patent stripe

patents stripe