CID 3010116

N-phenethyladamantan-1-amine

Structural Information

Molecular Formula
C18H25N
SMILES
C1C2CC3CC1CC(C2)(C3)NCCC4=CC=CC=C4
InChI
InChI=1S/C18H25N/c1-2-4-14(5-3-1)6-7-19-18-11-15-8-16(12-18)10-17(9-15)13-18/h1-5,15-17,19H,6-13H2
InChIKey
NQJSHZOBPVGGNR-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

255.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 157.7
[M+Na]+ 278.18792 158.0
[M-H]- 254.19142 155.5
[M+NH4]+ 273.23252 180.7
[M+K]+ 294.16186 153.0
[M+H-H2O]+ 238.19596 148.9
[M+HCOO]- 300.19690 165.7
[M+CH3COO]- 314.21255 165.3
[M+Na-2H]- 276.17337 168.6
[M]+ 255.19815 155.7
[M]- 255.19925 155.7
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