CID 201081

1-(2-(3-(1-naphthyl)-2-(tetrahydrofurfuryl)propoxy)ethyl)pyrrolidine oxalate (1:1)

Structural Information

Molecular Formula
C24H33NO2
SMILES
C1CCN(C1)CCOCC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C24H33NO2/c1-2-11-24-21(7-1)8-5-9-22(24)17-20(18-23-10-6-15-27-23)19-26-16-14-25-12-3-4-13-25/h1-2,5,7-9,11,20,23H,3-4,6,10,12-19H2
InChIKey
WNKGGHXYVKRNHR-UHFFFAOYSA-N
Compound name
1-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propoxy]ethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.25113 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.258406 192.9
[M+Na]+ 390.240348 193.9
[M-H]- 366.243854 200.4
[M+NH4]+ 385.284953 205.8
[M+K]+ 406.214288 190.1
[M+H-H2O]+ 350.248390 183.5
[M+HCOO]- 412.249331 207.8
[M+CH3COO]- 426.264981 200.7
[M+Na-2H]- 388.225796 189.6
[M]+ 367.25058142 190.8
[M]- 367.25167858 190.8
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.