CID 17750122

3-aminoazetidine, 3-cbz protected

Structural Information

Molecular Formula

C₁₁H₁₄N₂O₂

SMILES

C1C(CN1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C11H14N2O2/c14-11(13-10-6-12-7-10)15-8-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2,(H,13,14)

InChIKey

UWOOBFRZDNDUQB-UHFFFAOYSA-N

Compound name

benzyl N-(azetidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 117
Patents: 206.10553 Da
Monoisotopic Mass: 0.8
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]+	207.11281	144.6
[M+Na]+	229.09475	148.0
[M-H]-	205.09825	147.7
[M+NH4]+	224.13935	154.2
[M+K]+	245.06869	148.8
[M+H-H2O]+	189.10279	131.2
[M+HCOO]-	251.10373	164.5
[M+CH3COO]-	265.11938	186.5
[M+Na-2H]-	227.08020	149.9
[M]+	206.10498	150.1
[M]-	206.10608	150.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe