CID 22272981

1-methanesulfonylpiperidin-4-ol

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CS(=O)(=O)N1CCC(CC1)O
InChI
InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h6,8H,2-5H2,1H3
InChIKey
UPEFDWJLNXWMOW-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidin-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

260
Patents

179.06161 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.068886 136.0
[M+Na]+ 202.050828 142.8
[M-H]- 178.054334 136.6
[M+NH4]+ 197.095433 154.5
[M+K]+ 218.024768 141.0
[M+H-H2O]+ 162.058870 130.7
[M+HCOO]- 224.059811 148.6
[M+CH3COO]- 238.075461 173.2
[M+Na-2H]- 200.036276 139.1
[M]+ 179.06106142 134.2
[M]- 179.06215858 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe