CID 16769272

3-methylpiperidine-1-sulfonyl chloride

Structural Information

Molecular Formula
C6H12ClNO2S
SMILES
CC1CCCN(C1)S(=O)(=O)Cl
InChI
InChI=1S/C6H12ClNO2S/c1-6-3-2-4-8(5-6)11(7,9)10/h6H,2-5H2,1H3
InChIKey
IJDFNZUQWMCFEU-UHFFFAOYSA-N
Compound name
3-methylpiperidine-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

197.02773 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.035006 137.6
[M+Na]+ 220.016948 145.7
[M-H]- 196.020454 139.9
[M+NH4]+ 215.061553 157.1
[M+K]+ 235.990888 142.6
[M+H-H2O]+ 180.024990 133.1
[M+HCOO]- 242.025931 147.0
[M+CH3COO]- 256.041581 177.6
[M+Na-2H]- 218.002396 140.7
[M]+ 197.02718142 138.0
[M]- 197.02827858 138.0
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

patents stripe