CID 3073589

1-(2-phenyl-2-adamantyl)pyrrolidine

Structural Information

Molecular Formula
C20H27N
SMILES
C1CCN(C1)C2(C3CC4CC(C3)CC2C4)C5=CC=CC=C5
InChI
InChI=1S/C20H27N/c1-2-6-17(7-3-1)20(21-8-4-5-9-21)18-11-15-10-16(13-18)14-19(20)12-15/h1-3,6-7,15-16,18-19H,4-5,8-14H2
InChIKey
FUXOBNXJWMEGFJ-UHFFFAOYSA-N
Compound name
1-(2-phenyl-2-adamantyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.21436 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.221636 162.6
[M+Na]+ 304.203578 163.0
[M-H]- 280.207084 161.9
[M+NH4]+ 299.248183 185.0
[M+K]+ 320.177518 156.9
[M+H-H2O]+ 264.211620 152.2
[M+HCOO]- 326.212561 167.2
[M+CH3COO]- 340.228211 169.6
[M+Na-2H]- 302.189026 167.9
[M]+ 281.21381142 158.1
[M]- 281.21490858 158.1
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.