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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.03501 138.0
[M+Na]+ 220.01695 147.9
[M-H]- 196.02045 140.9
[M+NH4]+ 215.06155 161.4
[M+K]+ 235.99089 145.2
[M+H-H2O]+ 180.02499 134.8
[M+HCOO]- 242.02593 149.5
[M+CH3COO]- 256.04158 176.8
[M+Na-2H]- 218.00240 141.2
[M]+ 197.02718 140.8
[M]- 197.02828 140.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.