CID 83682187

1536873-76-3

Structural Information

Molecular Formula

C₇H₁₃NO₃

SMILES

CN(C)C1(COC1)CC(=O)O

InChI

InChI=1S/C7H13NO3/c1-8(2)7(3-6(9)10)4-11-5-7/h3-5H2,1-2H3,(H,9,10)

InChIKey

FEOYTKQMQQZJKE-UHFFFAOYSA-N

Compound name

2-[3-(dimethylamino)oxetan-3-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 159.08954 Da
Monoisotopic Mass: -3.0
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	134.1
[M+Na]+	182.07876	138.4
[M-H]-	158.08226	138.2
[M+NH4]+	177.12336	148.4
[M+K]+	198.05270	143.8
[M+H-H2O]+	142.08680	124.4
[M+HCOO]-	204.08774	154.6
[M+CH3COO]-	218.10339	182.7
[M+Na-2H]-	180.06421	140.0
[M]+	159.08899	143.7
[M]-	159.09009	143.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.