CID 66186833

N-(azetidin-3-yl)-n-methylpropanamide

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CCC(=O)N(C)C1CNC1

InChI

InChI=1S/C7H14N2O/c1-3-7(10)9(2)6-4-8-5-6/h6,8H,3-5H2,1-2H3

InChIKey

FUJWDTOILQQTIY-UHFFFAOYSA-N

Compound name

N-(azetidin-3-yl)-N-methylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 142.11061 Da
Monoisotopic Mass: -0.4
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]+	143.11789	134.3
[M+Na]+	165.09983	138.2
[M-H]-	141.10333	136.1
[M+NH4]+	160.14443	147.5
[M+K]+	181.07377	141.4
[M+H-H2O]+	125.10787	122.5
[M+HCOO]-	187.10881	154.1
[M+CH3COO]-	201.12446	181.1
[M+Na-2H]-	163.08528	137.9
[M]+	142.11006	140.6
[M]-	142.11116	140.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe