CID 151801

Mppop

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

2
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 161.0
[M+Na]+ 286.14135 165.9
[M-H]- 262.14485 164.3
[M+NH4]+ 281.18595 178.9
[M+K]+ 302.11529 158.9
[M+H-H2O]+ 246.14939 158.7
[M+HCOO]- 308.15033 178.1
[M+CH3COO]- 322.16598 184.5
[M+Na-2H]- 284.12680 167.3
[M]+ 263.15158 156.4
[M]- 263.15268 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