CID 3025358

102584-36-1

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

1
Patents

309.20926 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.5
[M+Na]+ 332.198478 181.3
[M-H]- 308.201984 184.9
[M+NH4]+ 327.243083 192.0
[M+K]+ 348.172418 177.0
[M+H-H2O]+ 292.206520 168.5
[M+HCOO]- 354.207461 195.1
[M+CH3COO]- 368.223111 205.7
[M+Na-2H]- 330.183926 178.3
[M]+ 309.20871142 175.4
[M]- 309.20980858 175.4
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.