CID 137935312

2248341-86-6

Structural Information

Molecular Formula
C8H17NO2S
SMILES
CC1(CCNCC1)CS(=O)(=O)C
InChI
InChI=1S/C8H17NO2S/c1-8(7-12(2,10)11)3-5-9-6-4-8/h9H,3-7H2,1-2H3
InChIKey
UFUCSISVUDQSPN-UHFFFAOYSA-N
Compound name
4-methyl-4-(methylsulfonylmethyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.098 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.10528 141.3
[M+Na]+ 214.08722 147.4
[M-H]- 190.09072 141.6
[M+NH4]+ 209.13182 161.1
[M+K]+ 230.06116 145.0
[M+H-H2O]+ 174.09526 136.6
[M+HCOO]- 236.09620 153.1
[M+CH3COO]- 250.11185 175.5
[M+Na-2H]- 212.07267 145.5
[M]+ 191.09745 138.8
[M]- 191.09855 138.8
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.