CID 151801

1-methyl-4-phenyl-4-piperidinol propionate n-oxide

Structural Information

Molecular Formula
C15H21NO3
SMILES
CCC(=O)OC1(CC[N+](CC1)(C)[O-])C2=CC=CC=C2
InChI
InChI=1S/C15H21NO3/c1-3-14(17)19-15(13-7-5-4-6-8-13)9-11-16(2,18)12-10-15/h4-8H,3,9-12H2,1-2H3
InChIKey
VGQRTLUSTBGWLP-UHFFFAOYSA-N
Compound name
(1-methyl-1-oxido-4-phenylpiperidin-1-ium-4-yl) propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.0
[M+Na]+ 286.141348 165.9
[M-H]- 262.144854 164.3
[M+NH4]+ 281.185953 178.9
[M+K]+ 302.115288 158.9
[M+H-H2O]+ 246.149390 158.7
[M+HCOO]- 308.150331 178.1
[M+CH3COO]- 322.165981 184.5
[M+Na-2H]- 284.126796 167.3
[M]+ 263.15158142 156.4
[M]- 263.15267858 156.4
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