CID 24694567

4-(2,3-dimethylphenoxy)piperidine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC1=C(C(=CC=C1)OC2CCNCC2)C

InChI

InChI=1S/C13H19NO/c1-10-4-3-5-13(11(10)2)15-12-6-8-14-9-7-12/h3-5,12,14H,6-9H2,1-2H3

InChIKey

SWOAHKOFKRMKBP-UHFFFAOYSA-N

Compound name

4-(2,3-dimethylphenoxy)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 22
Patents: 205.14667 Da
Monoisotopic Mass: 2.7
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]+	206.15395	148.5
[M+Na]+	228.13589	161.5
[M+NH4]+	223.18049	157.5
[M+K]+	244.10983	153.9
[M-H]-	204.13939	152.4
[M+Na-2H]-	226.12134	155.9
[M]+	205.14612	151.4
[M]-	205.14722	151.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe