CID 40580

N-(2-adamantyl)aniline

Structural Information

Molecular Formula
C16H21N
SMILES
C1C2CC3CC1CC(C2)C3NC4=CC=CC=C4
InChI
InChI=1S/C16H21N/c1-2-4-15(5-3-1)17-16-13-7-11-6-12(9-13)10-14(16)8-11/h1-5,11-14,16-17H,6-10H2
InChIKey
ZEFPCBGROANPME-UHFFFAOYSA-N
Compound name
N-phenyladamantan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

227.1674 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 147.1
[M+Na]+ 250.15662 148.0
[M-H]- 226.16012 145.4
[M+NH4]+ 245.20122 169.6
[M+K]+ 266.13056 143.6
[M+H-H2O]+ 210.16466 139.6
[M+HCOO]- 272.16560 155.9
[M+CH3COO]- 286.18125 155.6
[M+Na-2H]- 248.14207 157.9
[M]+ 227.16685 144.7
[M]- 227.16795 144.7
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