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]+ 264.159406 162.3
[M+Na]+ 286.141348 167.5
[M-H]- 262.144854 165.7
[M+NH4]+ 281.185953 178.4
[M+K]+ 302.115288 164.5
[M+H-H2O]+ 246.149390 154.6
[M+HCOO]- 308.150331 181.2
[M+CH3COO]- 322.165981 194.1
[M+Na-2H]- 284.126796 162.3
[M]+ 263.15158142 162.0
[M]- 263.15267858 162.0
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.