CID 10103118

Azetidin-3-ylmethanamine dihydrochloride

Structural Information

Molecular Formula

C₄H₁₀N₂

SMILES

C1C(CN1)CN

InChI

InChI=1S/C4H10N2/c5-1-4-2-6-3-4/h4,6H,1-3,5H2

InChIKey

VMAXJDJIFGIBGH-UHFFFAOYSA-N

Compound name

azetidin-3-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 277
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	117.2
[M+Na]+	109.07362	122.3
[M-H]-	85.077124	117.4
[M+NH4]+	104.11822	131.8
[M+K]+	125.04756	124.2
[M+H-H2O]+	69.081660	106.4
[M+HCOO]-	131.08260	137.5
[M+CH3COO]-	145.09825	167.0
[M+Na-2H]-	107.05907	123.6
[M]+	86.083851	120.3
[M]-	86.084949	120.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe