CID 56828646

1037041-50-1

Structural Information

Molecular Formula

C₇H₁₄ClNO₂S

SMILES

CC1(CCN(CC1)S(=O)(=O)Cl)C

InChI

InChI=1S/C7H14ClNO2S/c1-7(2)3-5-9(6-4-7)12(8,10)11/h3-6H2,1-2H3

InChIKey

BZBQADRBYSOTOA-UHFFFAOYSA-N

Compound name

4,4-dimethylpiperidine-1-sulfonyl chloride

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 211.04338 Da
Monoisotopic Mass: 2.0
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]+	212.050656	140.2
[M+Na]+	234.032598	148.5
[M-H]-	210.036104	142.5
[M+NH4]+	229.077203	161.0
[M+K]+	250.006538	145.6
[M+H-H2O]+	194.040640	136.4
[M+HCOO]-	256.041581	149.2
[M+CH3COO]-	270.057231	180.1
[M+Na-2H]-	232.018046	144.4
[M]+	211.04283142	141.2
[M]-	211.04392858	141.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe