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
3
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]+ 304.26351 179.6
[M+Na]+ 326.24545 182.8
[M-H]- 302.24895 181.9
[M+NH4]+ 321.29005 194.4
[M+K]+ 342.21939 177.6
[M+H-H2O]+ 286.25349 171.1
[M+HCOO]- 348.25443 197.2
[M+CH3COO]- 362.27008 204.9
[M+Na-2H]- 324.23090 177.9
[M]+ 303.25568 179.5
[M]- 303.25678 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.