CID 79887171

1539173-47-1

Structural Information

Molecular Formula

C₇H₁₂ClNO

SMILES

CC1(CCCN1C(=O)Cl)C

InChI

InChI=1S/C7H12ClNO/c1-7(2)4-3-5-9(7)6(8)10/h3-5H2,1-2H3

InChIKey

ZLWCGSZACCSMTG-UHFFFAOYSA-N

Compound name

2,2-dimethylpyrrolidine-1-carbonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 161.06075 Da
Monoisotopic Mass: 1.9
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]+	162.06803	132.1
[M+Na]+	184.04997	140.8
[M-H]-	160.05347	134.3
[M+NH4]+	179.09457	156.3
[M+K]+	200.02391	138.5
[M+H-H2O]+	144.05801	128.0
[M+HCOO]-	206.05895	148.6
[M+CH3COO]-	220.07460	174.7
[M+Na-2H]-	182.03542	135.8
[M]+	161.06020	131.9
[M]-	161.06130	131.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.