CID 11205719

2,4-dimethylazetidine hydrochloride

Structural Information

Molecular Formula

C₅H₁₁N

SMILES

C[C@@H]1C[C@H](N1)C

InChI

InChI=1S/C5H11N/c1-4-3-5(2)6-4/h4-6H,3H2,1-2H3/t4-,5-/m1/s1

InChIKey

YPIDADKMTAZBST-RFZPGFLSSA-N

Compound name

(2R,4R)-2,4-dimethylazetidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 138
Patents: 85.08915 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]+	86.096426	115.4
[M+Na]+	108.078368	122.2
[M-H]-	84.081874	116.6
[M+NH4]+	103.122973	131.2
[M+K]+	124.052308	124.2
[M+H-H2O]+	68.086410	105.8
[M+HCOO]-	130.087351	135.2
[M+CH3COO]-	144.103001	167.1
[M+Na-2H]-	106.063816	121.8
[M]+	85.08860142	121.2
[M]-	85.08969858	121.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe