CID 24692196

4-[(2-methylpropoxy)methyl]piperidine hydrochloride

Structural Information

Molecular Formula

C₁₀H₂₁NO

SMILES

CC(C)COCC1CCNCC1

InChI

InChI=1S/C10H21NO/c1-9(2)7-12-8-10-3-5-11-6-4-10/h9-11H,3-8H2,1-2H3

InChIKey

FUJUEGHFNHCTIJ-UHFFFAOYSA-N

Compound name

4-(2-methylpropoxymethyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 171.16231 Da
Monoisotopic Mass: 1.7
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]+	172.169586	143.1
[M+Na]+	194.151528	146.2
[M-H]-	170.155034	142.4
[M+NH4]+	189.196133	161.1
[M+K]+	210.125468	144.8
[M+H-H2O]+	154.159570	136.5
[M+HCOO]-	216.160511	159.3
[M+CH3COO]-	230.176161	178.3
[M+Na-2H]-	192.136976	145.9
[M]+	171.16176142	138.4
[M]-	171.16285858	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe