CID 59393608

3-amino-3-methyl-n-benzylazetidine

Structural Information

Molecular Formula

C₁₁H₁₆N₂

SMILES

CC1(CN(C1)CC2=CC=CC=C2)N

InChI

InChI=1S/C11H16N2/c1-11(12)8-13(9-11)7-10-5-3-2-4-6-10/h2-6H,7-9,12H2,1H3

InChIKey

CDANDELGCYKWGP-UHFFFAOYSA-N

Compound name

1-benzyl-3-methylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 39
Patents: 176.13135 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]+	177.13863	140.1
[M+Na]+	199.12057	146.2
[M-H]-	175.12407	144.9
[M+NH4]+	194.16517	154.0
[M+K]+	215.09451	146.5
[M+H-H2O]+	159.12861	128.4
[M+HCOO]-	221.12955	161.4
[M+CH3COO]-	235.14520	186.2
[M+Na-2H]-	197.10602	146.4
[M]+	176.13080	146.0
[M]-	176.13190	146.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe