CID 5276627

2-(3-phenyl-1-adamantyl)ethanamine

Structural Information

Molecular Formula
C18H25N
SMILES
C1C2CC3(CC1CC(C2)(C3)C4=CC=CC=C4)CCN
InChI
InChI=1S/C18H25N/c19-7-6-17-9-14-8-15(10-17)12-18(11-14,13-17)16-4-2-1-3-5-16/h1-5,14-15H,6-13,19H2
InChIKey
AJFBUASPHADRFO-UHFFFAOYSA-N
Compound name
2-(3-phenyl-1-adamantyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.1987 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 161.6
[M+Na]+ 278.18792 163.4
[M-H]- 254.19142 159.3
[M+NH4]+ 273.23252 186.4
[M+K]+ 294.16186 157.7
[M+H-H2O]+ 238.19596 152.3
[M+HCOO]- 300.19690 168.8
[M+CH3COO]- 314.21255 169.2
[M+Na-2H]- 276.17337 171.9
[M]+ 255.19815 159.1
[M]- 255.19925 159.1
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.