CID 84047619

N-[(azetidin-2-yl)methyl]acetamide dihydrochloride

Structural Information

Molecular Formula

C₆H₁₂N₂O

SMILES

CC(=O)NCC1CCN1

InChI

InChI=1S/C6H12N2O/c1-5(9)8-4-6-2-3-7-6/h6-7H,2-4H2,1H3,(H,8,9)

InChIKey

ILWSPBQCIUAGPN-UHFFFAOYSA-N

Compound name

N-(azetidin-2-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 128.09496 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]+	129.102236	129.3
[M+Na]+	151.084178	133.5
[M-H]-	127.087684	129.8
[M+NH4]+	146.128783	142.4
[M+K]+	167.058118	135.6
[M+H-H2O]+	111.092220	117.9
[M+HCOO]-	173.093161	148.9
[M+CH3COO]-	187.108811	174.8
[M+Na-2H]-	149.069626	134.3
[M]+	128.09441142	134.1
[M]-	128.09550858	134.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe