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]+ 310.21654 157.8
[M+Na]+ 332.19848 163.9
[M-H]- 308.20198 164.5
[M+NH4]+ 327.24308 180.2
[M+K]+ 348.17242 158.4
[M+H-H2O]+ 292.20652 155.9
[M+HCOO]- 354.20746 168.5
[M+CH3COO]- 368.22311 168.1
[M+Na-2H]- 330.18393 157.2
[M]+ 309.20871 161.7
[M]- 309.20981 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.