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]+ 282.22164 162.6
[M+Na]+ 304.20358 163.0
[M-H]- 280.20708 161.9
[M+NH4]+ 299.24818 185.0
[M+K]+ 320.17752 156.9
[M+H-H2O]+ 264.21162 152.2
[M+HCOO]- 326.21256 167.2
[M+CH3COO]- 340.22821 169.6
[M+Na-2H]- 302.18903 167.9
[M]+ 281.21381 158.1
[M]- 281.21491 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.