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 162.3
[M+Na]+ 286.14135 167.5
[M-H]- 262.14485 165.7
[M+NH4]+ 281.18595 178.4
[M+K]+ 302.11529 164.5
[M+H-H2O]+ 246.14939 154.6
[M+HCOO]- 308.15033 181.2
[M+CH3COO]- 322.16598 194.1
[M+Na-2H]- 284.12680 162.3
[M]+ 263.15158 162.0
[M]- 263.15268 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.