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: 9
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]+	181.13355	140.8
[M+Na]+	203.11549	152.6
[M+NH4]+	198.16009	149.3
[M+K]+	219.08943	148.2
[M-H]-	179.11899	144.6
[M+Na-2H]-	201.10094	146.8
[M]+	180.12572	143.4
[M]-	180.12682	143.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe