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]+ 192.105276 141.3
[M+Na]+ 214.087218 147.4
[M-H]- 190.090724 141.6
[M+NH4]+ 209.131823 161.1
[M+K]+ 230.061158 145.0
[M+H-H2O]+ 174.095260 136.6
[M+HCOO]- 236.096201 153.1
[M+CH3COO]- 250.111851 175.5
[M+Na-2H]- 212.072666 145.5
[M]+ 191.09745142 138.8
[M]- 191.09854858 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.