CID 161154

Norketobemidone

Structural Information

Molecular Formula
C14H19NO2
SMILES
CCC(=O)C1(CCNCC1)C2=CC(=CC=C2)O
InChI
InChI=1S/C14H19NO2/c1-2-13(17)14(6-8-15-9-7-14)11-4-3-5-12(16)10-11/h3-5,10,15-16H,2,6-9H2,1H3
InChIKey
BJTDPLRIKDSWIS-UHFFFAOYSA-N
Compound name
1-[4-(3-hydroxyphenyl)piperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

13
Patents

233.14159 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 155.6
[M+Na]+ 256.13081 160.1
[M-H]- 232.13431 157.4
[M+NH4]+ 251.17541 172.1
[M+K]+ 272.10475 156.2
[M+H-H2O]+ 216.13885 148.6
[M+HCOO]- 278.13979 171.0
[M+CH3COO]- 292.15544 185.4
[M+Na-2H]- 254.11626 158.9
[M]+ 233.14104 149.4
[M]- 233.14214 149.4
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