CID 3010129

3-phenyladamantan-1-amine

Structural Information

Molecular Formula
C16H21N
SMILES
C1C2CC3(CC1CC(C2)(C3)N)C4=CC=CC=C4
InChI
InChI=1S/C16H21N/c17-16-9-12-6-13(10-16)8-15(7-12,11-16)14-4-2-1-3-5-14/h1-5,12-13H,6-11,17H2
InChIKey
MWXAHLMUYMJXTG-UHFFFAOYSA-N
Compound name
3-phenyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

135
Patents

227.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 152.7
[M+Na]+ 250.15662 155.4
[M-H]- 226.16012 150.9
[M+NH4]+ 245.20122 178.7
[M+K]+ 266.13056 150.2
[M+H-H2O]+ 210.16466 143.9
[M+HCOO]- 272.16560 160.7
[M+CH3COO]- 286.18125 161.3
[M+Na-2H]- 248.14207 164.2
[M]+ 227.16685 149.7
[M]- 227.16795 149.7
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

patents stripe