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]+ 302.24785 177.9
[M+Na]+ 324.22979 182.8
[M-H]- 300.23329 182.0
[M+NH4]+ 319.27439 193.7
[M+K]+ 340.20373 177.8
[M+H-H2O]+ 284.23783 169.5
[M+HCOO]- 346.23877 197.2
[M+CH3COO]- 360.25442 207.8
[M+Na-2H]- 322.21524 176.0
[M]+ 301.24002 179.4
[M]- 301.24112 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.