CID 3025358

Ahr 167

Structural Information

Molecular Formula
C21H27NO
SMILES
CC(C)(C)N1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-21(2,3)22-15-14-19(16-22)23-20(17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-13,19-20H,14-16H2,1-3H3
InChIKey
NPDWODIXOSGRPH-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-tert-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.21654 177.9
[M+Na]+ 332.19848 190.6
[M+NH4]+ 327.24308 186.5
[M+K]+ 348.17242 184.5
[M-H]- 308.20198 183.3
[M+Na-2H]- 330.18393 186.8
[M]+ 309.20871 181.4
[M]- 309.20981 181.4
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.