CID 43415967

1154156-78-1

Structural Information

Molecular Formula
C9H17NO2S
SMILES
CSCCC(=O)N1CCC(CC1)O
InChI
InChI=1S/C9H17NO2S/c1-13-7-4-9(12)10-5-2-8(11)3-6-10/h8,11H,2-7H2,1H3
InChIKey
DELSRJFNACDCNB-UHFFFAOYSA-N
Compound name
1-(4-hydroxypiperidin-1-yl)-3-methylsulfanylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.098 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.105276 145.6
[M+Na]+ 226.087218 150.4
[M-H]- 202.090724 145.6
[M+NH4]+ 221.131823 163.1
[M+K]+ 242.061158 148.1
[M+H-H2O]+ 186.095260 139.4
[M+HCOO]- 248.096201 157.3
[M+CH3COO]- 262.111851 180.7
[M+Na-2H]- 224.072666 145.3
[M]+ 203.09745142 143.9
[M]- 203.09854858 143.9
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.