CID 63219374

2,2-dimethylpyrrolidine-1-sulfonyl chloride

Structural Information

Molecular Formula

C₆H₁₂ClNO₂S

SMILES

CC1(CCCN1S(=O)(=O)Cl)C

InChI

InChI=1S/C6H12ClNO2S/c1-6(2)4-3-5-8(6)11(7,9)10/h3-5H2,1-2H3

InChIKey

PXBYYPHEHRTKDY-UHFFFAOYSA-N

Compound name

2,2-dimethylpyrrolidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 197.02773 Da
Monoisotopic Mass: 1.4
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]+	198.035006	138.0
[M+Na]+	220.016948	147.9
[M-H]-	196.020454	140.9
[M+NH4]+	215.061553	161.4
[M+K]+	235.990888	145.2
[M+H-H2O]+	180.024990	134.8
[M+HCOO]-	242.025931	149.5
[M+CH3COO]-	256.041581	176.8
[M+Na-2H]-	218.002396	141.2
[M]+	197.02718142	140.8
[M]-	197.02827858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.