CID 3025266

102372-32-7

Structural Information

Molecular Formula
C21H27NO
SMILES
CCCCN1CCC(C1)OC(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H27NO/c1-2-3-15-22-16-14-20(17-22)23-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,20-21H,2-3,14-17H2,1H3
InChIKey
QFGBDMAJXGJVDT-UHFFFAOYSA-N
Compound name
3-benzhydryloxy-1-butylpyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

309.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 177.6
[M+Na]+ 332.198478 180.8
[M-H]- 308.201984 184.5
[M+NH4]+ 327.243083 191.8
[M+K]+ 348.172418 176.0
[M+H-H2O]+ 292.206520 167.7
[M+HCOO]- 354.207461 196.7
[M+CH3COO]- 368.223111 205.9
[M+Na-2H]- 330.183926 177.5
[M]+ 309.20871142 175.9
[M]- 309.20980858 175.9
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

patents stripe