CID 497623

1,2,3,5,6,7-hexahydropyrrolizin-8-yl-phenyl-[?]yl-methanol

Structural Information

Molecular Formula
C21H27NO
SMILES
C1CC2(CCCN2C1)C(C3C4CC5C3C5C4)(C6=CC=CC=C6)O
InChI
InChI=1S/C21H27NO/c23-21(15-6-2-1-3-7-15,19-14-12-16-17(13-14)18(16)19)20-8-4-10-22(20)11-5-9-20/h1-3,6-7,14,16-19,23H,4-5,8-13H2
InChIKey
LCROKYCGYWRBDM-UHFFFAOYSA-N
Compound name
1,2,3,5,6,7-hexahydropyrrolizin-8-yl-phenyl-(3-tricyclo[2.2.1.02,6]heptanyl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

309.20926 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.216536 157.8
[M+Na]+ 332.198478 163.9
[M-H]- 308.201984 164.5
[M+NH4]+ 327.243083 180.2
[M+K]+ 348.172418 158.4
[M+H-H2O]+ 292.206520 155.9
[M+HCOO]- 354.207461 168.5
[M+CH3COO]- 368.223111 168.1
[M+Na-2H]- 330.183926 157.2
[M]+ 309.20871142 161.7
[M]- 309.20980858 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.