CID 10329248

3-methylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

CC1(CNC1)N

InChI

InChI=1S/C4H10N2/c1-4(5)2-6-3-4/h6H,2-3,5H2,1H3

InChIKey

PYBBRDLRXFWWFU-UHFFFAOYSA-N

Compound name

3-methylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 130
Patents: 86.0844 Da
Monoisotopic Mass: -1.1
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]+	87.091676	118.8
[M+Na]+	109.07362	124.8
[M-H]-	85.077124	119.5
[M+NH4]+	104.11822	135.4
[M+K]+	125.04756	126.7
[M+H-H2O]+	69.081660	109.3
[M+HCOO]-	131.08260	139.1
[M+CH3COO]-	145.09825	166.6
[M+Na-2H]-	107.05907	126.1
[M]+	86.083851	122.2
[M]-	86.084949	122.2

Literature stripe

literature stripe

Patent stripe

patents stripe