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]+ 368.25841 192.9
[M+Na]+ 390.24035 193.9
[M-H]- 366.24385 200.4
[M+NH4]+ 385.28495 205.8
[M+K]+ 406.21429 190.1
[M+H-H2O]+ 350.24839 183.5
[M+HCOO]- 412.24933 207.8
[M+CH3COO]- 426.26498 200.7
[M+Na-2H]- 388.22580 189.6
[M]+ 367.25058 190.8
[M]- 367.25168 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.