CID 303939

N-phenyladamantan-1-amine

Structural Information

Molecular Formula
C16H21N
SMILES
C1C2CC3CC1CC(C2)(C3)NC4=CC=CC=C4
InChI
InChI=1S/C16H21N/c1-2-4-15(5-3-1)17-16-9-12-6-13(10-16)8-14(7-12)11-16/h1-5,12-14,17H,6-11H2
InChIKey
NKOYQKQNTMZHRD-UHFFFAOYSA-N
Compound name
N-phenyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

47
Patents

227.1674 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.17468 148.6
[M+Na]+ 250.15662 149.9
[M-H]- 226.16012 146.9
[M+NH4]+ 245.20122 172.8
[M+K]+ 266.13056 145.3
[M+H-H2O]+ 210.16466 140.3
[M+HCOO]- 272.16560 157.4
[M+CH3COO]- 286.18125 157.1
[M+Na-2H]- 248.14207 160.7
[M]+ 227.16685 146.1
[M]- 227.16795 146.1
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