CID 17918031

1-methanesulfonylpiperidin-3-ol

Structural Information

Molecular Formula
C6H13NO3S
SMILES
CS(=O)(=O)N1CCCC(C1)O
InChI
InChI=1S/C6H13NO3S/c1-11(9,10)7-4-2-3-6(8)5-7/h6,8H,2-5H2,1H3
InChIKey
ZRWNGUJVDUBGFQ-UHFFFAOYSA-N
Compound name
1-methylsulfonylpiperidin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

179.06161 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06889 136.0
[M+Na]+ 202.05083 142.8
[M-H]- 178.05433 136.6
[M+NH4]+ 197.09543 154.5
[M+K]+ 218.02477 141.0
[M+H-H2O]+ 162.05887 130.7
[M+HCOO]- 224.05981 148.6
[M+CH3COO]- 238.07546 173.2
[M+Na-2H]- 200.03628 139.1
[M]+ 179.06106 134.2
[M]- 179.06216 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

No literature data available for this compound.

Patent stripe

patents stripe