CID 201971

Pyrrolidine, 1-(4-allyloxy-3,5-dipropylbenzyl)-, hydrochloride

Structural Information

Molecular Formula
C20H31NO
SMILES
CCCC1=CC(=CC(=C1OCC=C)CCC)CN2CCCC2
InChI
InChI=1S/C20H31NO/c1-4-9-18-14-17(16-21-11-7-8-12-21)15-19(10-5-2)20(18)22-13-6-3/h6,14-15H,3-5,7-13,16H2,1-2H3
InChIKey
ILZMSGCLOKHJRT-UHFFFAOYSA-N
Compound name
1-[(4-prop-2-enoxy-3,5-dipropylphenyl)methyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.24057 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.247846 177.9
[M+Na]+ 324.229788 182.8
[M-H]- 300.233294 182.0
[M+NH4]+ 319.274393 193.7
[M+K]+ 340.203728 177.8
[M+H-H2O]+ 284.237830 169.5
[M+HCOO]- 346.238771 197.2
[M+CH3COO]- 360.254421 207.8
[M+Na-2H]- 322.215236 176.0
[M]+ 301.24002142 179.4
[M]- 301.24111858 179.4
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.