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]+ 268.169596 163.9
[M+Na]+ 290.151538 168.5
[M-H]- 266.155044 171.4
[M+NH4]+ 285.196143 179.9
[M+K]+ 306.125478 164.4
[M+H-H2O]+ 250.159580 154.7
[M+HCOO]- 312.160521 184.1
[M+CH3COO]- 326.176171 174.8
[M+Na-2H]- 288.136986 165.5
[M]+ 267.16177142 161.3
[M]- 267.16286858 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.