CID 53410604

Methyl 3-(azetidin-3-yloxy)benzoate hydrochloride

Structural Information

Molecular Formula

C₁₁H₁₃NO₃

SMILES

COC(=O)C1=CC(=CC=C1)OC2CNC2

InChI

InChI=1S/C11H13NO3/c1-14-11(13)8-3-2-4-9(5-8)15-10-6-12-7-10/h2-5,10,12H,6-7H2,1H3

InChIKey

QDOQIDLBFUTRFK-UHFFFAOYSA-N

Compound name

methyl 3-(azetidin-3-yloxy)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 207.08954 Da
Monoisotopic Mass: 1.2
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]+	208.096816	142.1
[M+Na]+	230.078758	147.2
[M-H]-	206.082264	145.7
[M+NH4]+	225.123363	152.2
[M+K]+	246.052698	148.6
[M+H-H2O]+	190.086800	129.6
[M+HCOO]-	252.087741	161.2
[M+CH3COO]-	266.103391	185.4
[M+Na-2H]-	228.064206	146.5
[M]+	207.08899142	150.2
[M]-	207.09008858	150.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.