CID 21490105

919111-20-9

Structural Information

Molecular Formula

C₈H₁₄ClNO

SMILES

CC1(CCCN1C(=O)CCl)C

InChI

InChI=1S/C8H14ClNO/c1-8(2)4-3-5-10(8)7(11)6-9/h3-6H2,1-2H3

InChIKey

HAFGJOPZTUOENG-UHFFFAOYSA-N

Compound name

2-chloro-1-(2,2-dimethylpyrrolidin-1-yl)ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 175.07639 Da
Monoisotopic Mass: 1.5
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]+	176.083666	136.7
[M+Na]+	198.065608	145.0
[M-H]-	174.069114	138.8
[M+NH4]+	193.110213	160.3
[M+K]+	214.039548	142.5
[M+H-H2O]+	158.073650	132.4
[M+HCOO]-	220.074591	152.9
[M+CH3COO]-	234.090241	177.7
[M+Na-2H]-	196.051056	139.9
[M]+	175.07584142	136.9
[M]-	175.07693858	136.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe