CID 16244612

112257-20-2

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1C(CN1C(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C11H14N2O2/c12-10-6-13(7-10)11(14)15-8-9-4-2-1-3-5-9/h1-5,10H,6-8,12H2

InChIKey

BSYBBTZXKIYFRW-UHFFFAOYSA-N

Compound name

benzyl 3-aminoazetidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 206.10553 Da
Monoisotopic Mass: 0.5
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]+	207.112806	145.0
[M+Na]+	229.094748	149.8
[M-H]-	205.098254	149.4
[M+NH4]+	224.139353	155.4
[M+K]+	245.068688	151.2
[M+H-H2O]+	189.102790	131.7
[M+HCOO]-	251.103731	165.8
[M+CH3COO]-	265.119381	189.4
[M+Na-2H]-	227.080196	149.0
[M]+	206.10498142	151.8
[M]-	206.10607858	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe