CID 3076574

1-(2-(2-hydroxy-2-(3-methylphenyl)ethoxy)ethyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C15H21NO3
SMILES
CC1=CC(=CC=C1)C(COCCN2CCCC2=O)O
InChI
InChI=1S/C15H21NO3/c1-12-4-2-5-13(10-12)14(17)11-19-9-8-16-7-3-6-15(16)18/h2,4-5,10,14,17H,3,6-9,11H2,1H3
InChIKey
XEYGUVUMSVRWED-UHFFFAOYSA-N
Compound name
1-[2-[2-hydroxy-2-(3-methylphenyl)ethoxy]ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.15213 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.15941 163.1
[M+Na]+ 286.14135 173.1
[M+NH4]+ 281.18595 169.8
[M+K]+ 302.11529 169.1
[M-H]- 262.14485 164.5
[M+Na-2H]- 284.12680 167.4
[M]+ 263.15158 164.6
[M]- 263.15268 164.6
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.