CID 3076569

1-(2-(2-hydroxy-2-phenylethoxy)ethyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C14H19NO3
SMILES
C1CC(=O)N(C1)CCOCC(C2=CC=CC=C2)O
InChI
InChI=1S/C14H19NO3/c16-13(12-5-2-1-3-6-12)11-18-10-9-15-8-4-7-14(15)17/h1-3,5-6,13,16H,4,7-11H2
InChIKey
NKPHCKIXPPKGBU-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxy-2-phenylethoxy)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 158.0
[M+Na]+ 272.12571 162.7
[M-H]- 248.12921 161.2
[M+NH4]+ 267.17031 174.4
[M+K]+ 288.09965 159.9
[M+H-H2O]+ 232.13375 150.2
[M+HCOO]- 294.13469 177.3
[M+CH3COO]- 308.15034 189.9
[M+Na-2H]- 270.11116 159.2
[M]+ 249.13594 156.9
[M]- 249.13704 156.9
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.