CID 92135239

1951441-46-5

Structural Information

Molecular Formula

C₁₂H₁₆N₂O₂

SMILES

CC1(CNC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C12H16N2O2/c1-12(8-13-9-12)14-11(15)16-7-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3,(H,14,15)

InChIKey

CZSJEUANCQDUJL-UHFFFAOYSA-N

Compound name

benzyl N-(3-methylazetidin-3-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 220.12119 Da
Monoisotopic Mass: 1.0
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]+	221.128466	151.6
[M+Na]+	243.110408	155.6
[M-H]-	219.113914	155.0
[M+NH4]+	238.155013	162.7
[M+K]+	259.084348	156.3
[M+H-H2O]+	203.118450	139.2
[M+HCOO]-	265.119391	171.2
[M+CH3COO]-	279.135041	188.9
[M+Na-2H]-	241.095856	157.2
[M]+	220.12064142	157.8
[M]-	220.12173858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe