CID 13477830

1185175-54-5

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CC1=CC=CC=C1COC2CCNCC2

InChI

InChI=1S/C13H19NO/c1-11-4-2-3-5-12(11)10-15-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3

InChIKey

NJFYIPAFKCBDPW-UHFFFAOYSA-N

Compound name

4-[(2-methylphenyl)methoxy]piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 18
Patents: 205.14667 Da
Monoisotopic Mass: 2.1
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]+	206.15395	148.0
[M+Na]+	228.13589	152.4
[M-H]-	204.13939	150.8
[M+NH4]+	223.18049	164.6
[M+K]+	244.10983	148.9
[M+H-H2O]+	188.14393	140.2
[M+HCOO]-	250.14487	165.8
[M+CH3COO]-	264.16052	183.2
[M+Na-2H]-	226.12134	152.4
[M]+	205.14612	142.8
[M]-	205.14722	142.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe