CID 193049

Dtxsid60947523

Structural Information

Molecular Formula
C16H25NO
SMILES
CC(C)COC(CN1CCCC1)C2=CC=CC=C2
InChI
InChI=1S/C16H25NO/c1-14(2)13-18-16(12-17-10-6-7-11-17)15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13H2,1-2H3
InChIKey
KTPQTZSTSZIECR-UHFFFAOYSA-N
Compound name
1-[2-(2-methylpropoxy)-2-phenylethyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 162.8
[M+Na]+ 270.182838 165.7
[M-H]- 246.186344 166.6
[M+NH4]+ 265.227443 179.8
[M+K]+ 286.156778 163.3
[M+H-H2O]+ 230.190880 154.4
[M+HCOO]- 292.191821 181.2
[M+CH3COO]- 306.207471 195.0
[M+Na-2H]- 268.168286 162.6
[M]+ 247.19307142 161.1
[M]- 247.19416858 161.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.