CID 56499

92956-06-4

Structural Information

Molecular Formula
C18H23NO3
SMILES
CC#CC(C1=CC=CC=C1)(C(=O)OCC2CCN(CC2)C)O
InChI
InChI=1S/C18H23NO3/c1-3-11-18(21,16-7-5-4-6-8-16)17(20)22-14-15-9-12-19(2)13-10-15/h4-8,15,21H,9-10,12-14H2,1-2H3
InChIKey
ZWYPBWBLWYUTLL-UHFFFAOYSA-N
Compound name
(1-methylpiperidin-4-yl)methyl 2-hydroxy-2-phenylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.1678 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.17508 173.5
[M+Na]+ 324.15702 183.4
[M+NH4]+ 319.20162 176.2
[M+K]+ 340.13096 174.7
[M-H]- 300.16052 166.7
[M+Na-2H]- 322.14247 175.2
[M]+ 301.16725 172.0
[M]- 301.16835 172.0
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.