CID 3049306

64647-02-5

Structural Information

Molecular Formula

C₉H₁₇NO₃

SMILES

CC(=O)OC1C(CCCO1)N(C)C

InChI

InChI=1S/C9H17NO3/c1-7(11)13-9-8(10(2)3)5-4-6-12-9/h8-9H,4-6H2,1-3H3

InChIKey

KFBVRHIVYDGZDU-UHFFFAOYSA-N

Compound name

[3-(dimethylamino)oxan-2-yl] acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 187.12085 Da
Monoisotopic Mass: 0.7
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]+	188.12813	141.7
[M+Na]+	210.11007	146.4
[M-H]-	186.11357	146.8
[M+NH4]+	205.15467	160.4
[M+K]+	226.08401	148.8
[M+H-H2O]+	170.11811	135.6
[M+HCOO]-	232.11905	162.5
[M+CH3COO]-	246.13470	187.4
[M+Na-2H]-	208.09552	145.6
[M]+	187.12030	141.8
[M]-	187.12140	141.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.