CID 10329248

124668-47-9

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: 101
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	117.1
[M+Na]+	109.07362	122.4
[M+NH4]+	104.11822	122.9
[M+K]+	125.04756	117.8
[M-H]-	85.077124	115.3
[M+Na-2H]-	107.05907	121.0
[M]+	86.083851	116.0
[M]-	86.084949	116.0

Literature stripe

literature stripe

Patent stripe

patents stripe