CID 3076639

1-(2-(2-hydroxy-2-(1-naphthalenyl)ethoxy)ethyl)-2-pyrrolidinone

Structural Information

Molecular Formula
C18H21NO3
SMILES
C1CC(=O)N(C1)CCOCC(C2=CC=CC3=CC=CC=C32)O
InChI
InChI=1S/C18H21NO3/c20-17(13-22-12-11-19-10-4-9-18(19)21)16-8-3-6-14-5-1-2-7-15(14)16/h1-3,5-8,17,20H,4,9-13H2
InChIKey
BNPBWJIMLOPOQY-UHFFFAOYSA-N
Compound name
1-[2-(2-hydroxy-2-naphthalen-1-ylethoxy)ethyl]pyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.15213 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.159406 170.8
[M+Na]+ 322.141348 175.9
[M-H]- 298.144854 174.9
[M+NH4]+ 317.185953 186.2
[M+K]+ 338.115288 171.6
[M+H-H2O]+ 282.149390 162.6
[M+HCOO]- 344.150331 188.4
[M+CH3COO]- 358.165981 200.7
[M+Na-2H]- 320.126796 172.1
[M]+ 299.15158142 170.3
[M]- 299.15267858 170.3
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.