CID 55250736

3-(piperidin-1-ylmethyl)oxan-4-one hydrochloride

Structural Information

Molecular Formula
C11H19NO2
SMILES
C1CCN(CC1)CC2COCCC2=O
InChI
InChI=1S/C11H19NO2/c13-11-4-7-14-9-10(11)8-12-5-2-1-3-6-12/h10H,1-9H2
InChIKey
SRTDHJNNYRDQAX-UHFFFAOYSA-N
Compound name
3-(piperidin-1-ylmethyl)oxan-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.14159 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.14887 146.0
[M+Na]+ 220.13081 148.8
[M-H]- 196.13431 150.1
[M+NH4]+ 215.17541 161.8
[M+K]+ 236.10475 148.3
[M+H-H2O]+ 180.13885 138.0
[M+HCOO]- 242.13979 161.0
[M+CH3COO]- 256.15544 182.2
[M+Na-2H]- 218.11626 149.6
[M]+ 197.14104 139.0
[M]- 197.14214 139.0
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.