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]+ 300.15941 170.8
[M+Na]+ 322.14135 175.9
[M-H]- 298.14485 174.9
[M+NH4]+ 317.18595 186.2
[M+K]+ 338.11529 171.6
[M+H-H2O]+ 282.14939 162.6
[M+HCOO]- 344.15033 188.4
[M+CH3COO]- 358.16598 200.7
[M+Na-2H]- 320.12680 172.1
[M]+ 299.15158 170.3
[M]- 299.15268 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.