CID 23153040

Methyl[(1-methylazetidin-3-yl)methyl]amine

Structural Information

Molecular Formula

C₆H₁₄N₂

SMILES

CNCC1CN(C1)C

InChI

InChI=1S/C6H14N2/c1-7-3-6-4-8(2)5-6/h6-7H,3-5H2,1-2H3

InChIKey

LPXOXONOLFNMPX-UHFFFAOYSA-N

Compound name

N-methyl-1-(1-methylazetidin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 46
Patents: 114.1157 Da
Monoisotopic Mass: -0.1
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]+	115.122976	124.3
[M+Na]+	137.104918	130.0
[M-H]-	113.108424	126.5
[M+NH4]+	132.149523	139.2
[M+K]+	153.078858	132.6
[M+H-H2O]+	97.112960	113.4
[M+HCOO]-	159.113901	146.1
[M+CH3COO]-	173.129551	177.2
[M+Na-2H]-	135.090366	130.7
[M]+	114.11515142	131.5
[M]-	114.11624858	131.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe