CID 91360113

3-(oxan-4-yl)piperidin-2-one

Structural Information

Molecular Formula
C10H17NO2
SMILES
C1CC(C(=O)NC1)C2CCOCC2
InChI
InChI=1S/C10H17NO2/c12-10-9(2-1-5-11-10)8-3-6-13-7-4-8/h8-9H,1-7H2,(H,11,12)
InChIKey
IVMKMPVENPOXGI-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

183.12593 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 184.133206 142.2
[M+Na]+ 206.115148 145.1
[M-H]- 182.118654 145.1
[M+NH4]+ 201.159753 157.9
[M+K]+ 222.089088 143.8
[M+H-H2O]+ 166.123190 134.7
[M+HCOO]- 228.124131 156.0
[M+CH3COO]- 242.139781 176.6
[M+Na-2H]- 204.100596 145.9
[M]+ 183.12538142 133.0
[M]- 183.12647858 133.0
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

patents stripe