CID 10101

Ketobemidone

Structural Information

Molecular Formula
C15H21NO2
SMILES
CCC(=O)C1(CCN(CC1)C)C2=CC(=CC=C2)O
InChI
InChI=1S/C15H21NO2/c1-3-14(18)15(7-9-16(2)10-8-15)12-5-4-6-13(17)11-12/h4-6,11,17H,3,7-10H2,1-2H3
InChIKey
ALFGKMXHOUSVAD-UHFFFAOYSA-N
Compound name
1-[4-(3-hydroxyphenyl)-1-methylpiperidin-4-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

125
References

13135
Patents

247.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.16451 158.6
[M+Na]+ 270.14645 164.1
[M-H]- 246.14995 162.1
[M+NH4]+ 265.19105 175.7
[M+K]+ 286.12039 160.9
[M+H-H2O]+ 230.15449 151.4
[M+HCOO]- 292.15543 175.2
[M+CH3COO]- 306.17108 192.0
[M+Na-2H]- 268.13190 161.3
[M]+ 247.15668 155.1
[M]- 247.15778 155.1
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