CID 58826

101711-17-5

Structural Information

Molecular Formula
C16H19NO3
SMILES
CC#CC(C1=CC=CC=C1)(C(=O)OC2CCN(C2)C)O
InChI
InChI=1S/C16H19NO3/c1-3-10-16(19,13-7-5-4-6-8-13)15(18)20-14-9-11-17(2)12-14/h4-8,14,19H,9,11-12H2,1-2H3
InChIKey
MWQQUDKRJVZOJN-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-3-yl) 2-hydroxy-2-phenylpent-3-ynoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.1365 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.14378 164.3
[M+Na]+ 296.12572 173.6
[M+NH4]+ 291.17032 167.1
[M+K]+ 312.09966 167.2
[M-H]- 272.12922 156.8
[M+Na-2H]- 294.11117 165.7
[M]+ 273.13595 162.4
[M]- 273.13705 162.4
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

No patent data available for this compound.