CID 18712662

1-methylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

CN1CC(C1)N

InChI

InChI=1S/C4H10N2/c1-6-2-4(5)3-6/h4H,2-3,5H2,1H3

InChIKey

BIWZYRJXBPPLLA-UHFFFAOYSA-N

Compound name

1-methylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 996
Patents: 86.0844 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]+	87.091676	116.0
[M+Na]+	109.07362	122.5
[M-H]-	85.077124	118.0
[M+NH4]+	104.11822	131.7
[M+K]+	125.04756	125.3
[M+H-H2O]+	69.081660	105.4
[M+HCOO]-	131.08260	137.8
[M+CH3COO]-	145.09825	170.6
[M+Na-2H]-	107.05907	122.3
[M]+	86.083851	121.4
[M]-	86.084949	121.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe