CID 84075451

1779648-35-9

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CNC(C1COC1)C(=O)OC

InChI

InChI=1S/C7H13NO3/c1-8-6(7(9)10-2)5-3-11-4-5/h5-6,8H,3-4H2,1-2H3

InChIKey

HCWVWXOBYCYALD-UHFFFAOYSA-N

Compound name

methyl 2-(methylamino)-2-(oxetan-3-yl)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 159.08954 Da
Monoisotopic Mass: -0.4
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]+	160.09682	133.5
[M+Na]+	182.07876	137.0
[M-H]-	158.08226	137.3
[M+NH4]+	177.12336	145.9
[M+K]+	198.05270	142.3
[M+H-H2O]+	142.08680	122.2
[M+HCOO]-	204.08774	154.0
[M+CH3COO]-	218.10339	182.5
[M+Na-2H]-	180.06421	138.3
[M]+	159.08899	142.7
[M]-	159.09009	142.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe