CID 24692741

1173079-45-2

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CC(C)C1=CC=C(C=C1)OC2CCNCC2

InChI

InChI=1S/C14H21NO/c1-11(2)12-3-5-13(6-4-12)16-14-7-9-15-10-8-14/h3-6,11,14-15H,7-10H2,1-2H3

InChIKey

KXXKDDKNUOVVGM-UHFFFAOYSA-N

Compound name

4-(4-propan-2-ylphenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 23
Patents: 219.16231 Da
Monoisotopic Mass: 3.1
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]+	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

No literature data available for this compound.

Patent stripe

patents stripe