CID 13674

3-(piperidinomethyl)-5-methylisoxazole hydrochloride

Structural Information

Molecular Formula

C₁₀H₁₆N₂O

SMILES

CC1=CC(=NO1)CN2CCCCC2

InChI

InChI=1S/C10H16N2O/c1-9-7-10(11-13-9)8-12-5-3-2-4-6-12/h7H,2-6,8H2,1H3

InChIKey

GTRKKZIHGWOERP-UHFFFAOYSA-N

Compound name

5-methyl-3-(piperidin-1-ylmethyl)-1,2-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 180.12627 Da
Monoisotopic Mass: 1.5
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]+	181.133546	140.0
[M+Na]+	203.115488	146.2
[M-H]-	179.118994	143.9
[M+NH4]+	198.160093	157.6
[M+K]+	219.089428	145.4
[M+H-H2O]+	163.123530	132.0
[M+HCOO]-	225.124471	158.9
[M+CH3COO]-	239.140121	179.4
[M+Na-2H]-	201.100936	144.5
[M]+	180.12572142	137.6
[M]-	180.12681858	137.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe