CID 167312514

9045-23-2

Structural Information

Molecular Formula
C20H33NO
SMILES
CCCCCCCCC1=CC=C(C=C1)COC2CC(NC2)C
InChI
InChI=1S/C20H33NO/c1-3-4-5-6-7-8-9-18-10-12-19(13-11-18)16-22-20-14-17(2)21-15-20/h10-13,17,20-21H,3-9,14-16H2,1-2H3
InChIKey
NACVMHBXBDTLNT-UHFFFAOYSA-N
Compound name
2-methyl-4-[(4-octylphenyl)methoxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

303.25623 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.263506 179.6
[M+Na]+ 326.245448 182.8
[M-H]- 302.248954 181.9
[M+NH4]+ 321.290053 194.4
[M+K]+ 342.219388 177.6
[M+H-H2O]+ 286.253490 171.1
[M+HCOO]- 348.254431 197.2
[M+CH3COO]- 362.270081 204.9
[M+Na-2H]- 324.230896 177.9
[M]+ 303.25568142 179.5
[M]- 303.25677858 179.5
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.