CID 57999543

1,3-dimethylazetidin-3-amine dihydrochloride

Structural Information

Molecular Formula

C₅H₁₂N₂

SMILES

CC1(CN(C1)C)N

InChI

InChI=1S/C5H12N2/c1-5(6)3-7(2)4-5/h3-4,6H2,1-2H3

InChIKey

SRKFECRKKOZICT-UHFFFAOYSA-N

Compound name

1,3-dimethylazetidin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 100.10005 Da
Monoisotopic Mass: -0.7
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]+	101.10733	120.7
[M+Na]+	123.08927	126.7
[M+NH4]+	118.13387	126.7
[M+K]+	139.06321	121.8
[M-H]-	99.092774	119.4
[M+Na-2H]-	121.07472	124.8
[M]+	100.09950	120.0
[M]-	100.10060	120.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe