CID 19853346

N-[(pyrrolidin-3-yl)methyl]acetamide dihydrochloride

Structural Information

Molecular Formula

C₇H₁₄N₂O

SMILES

CC(=O)NCC1CCNC1

InChI

InChI=1S/C7H14N2O/c1-6(10)9-5-7-2-3-8-4-7/h7-8H,2-5H2,1H3,(H,9,10)

InChIKey

BEAWFOYVSBYVCD-UHFFFAOYSA-N

Compound name

N-(pyrrolidin-3-ylmethyl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 112
Patents: 142.11061 Da
Monoisotopic Mass: -0.5
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	132.7
[M+Na]+	165.09983	140.3
[M+NH4]+	160.14443	140.0
[M+K]+	181.07377	137.4
[M-H]-	141.10333	132.6
[M+Na-2H]-	163.08528	135.8
[M]+	142.11006	133.2
[M]-	142.11116	133.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe