CID 201592

6302-71-2

Structural Information

Molecular Formula
C18H21NO
SMILES
CN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H21NO/c1-19-13-12-17(14-19)20-18(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-11,17-18H,12-14H2,1H3
InChIKey
MGXCSSMKOVWQDN-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-methylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.16232 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.9
[M+Na]+ 290.15154 168.5
[M-H]- 266.15504 171.4
[M+NH4]+ 285.19614 179.9
[M+K]+ 306.12548 164.4
[M+H-H2O]+ 250.15958 154.7
[M+HCOO]- 312.16052 184.1
[M+CH3COO]- 326.17617 174.8
[M+Na-2H]- 288.13699 165.5
[M]+ 267.16177 161.3
[M]- 267.16287 161.3
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.