CID 98709

65972-74-9

Structural Information

Molecular Formula

C₁₀H₁₈N₂O

SMILES

CC1CCCC(N1C2=NCCO2)C

InChI

InChI=1S/C10H18N2O/c1-8-4-3-5-9(2)12(8)10-11-6-7-13-10/h8-9H,3-7H2,1-2H3

InChIKey

VXCIYROZOLHXHH-UHFFFAOYSA-N

Compound name

2-(2,6-dimethylpiperidin-1-yl)-4,5-dihydro-1,3-oxazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 182.1419 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]+	183.149176	142.4
[M+Na]+	205.131118	148.6
[M-H]-	181.134624	146.3
[M+NH4]+	200.175723	160.2
[M+K]+	221.105058	148.0
[M+H-H2O]+	165.139160	134.7
[M+HCOO]-	227.140101	159.7
[M+CH3COO]-	241.155751	180.3
[M+Na-2H]-	203.116566	145.1
[M]+	182.14135142	138.8
[M]-	182.14244858	138.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe