CID 56514

92997-40-5

Structural Information

Molecular Formula
C16H19NO3
SMILES
CN1CCC(CC1)OC(=O)C(C#C)(C2=CC=CC=C2)O
InChI
InChI=1S/C16H19NO3/c1-3-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-10-14/h1,4-8,14,19H,9-12H2,2H3
InChIKey
PXPGZBNLUTXHFM-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl) 2-hydroxy-2-phenylbut-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 165.4
[M+Na]+ 296.12572 175.6
[M+NH4]+ 291.17032 168.4
[M+K]+ 312.09966 167.4
[M-H]- 272.12922 158.7
[M+Na-2H]- 294.11117 167.6
[M]+ 273.13595 164.0
[M]- 273.13705 164.0
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

No patent data available for this compound.