CID 63416547

2305251-91-4

Structural Information

Molecular Formula
C18H25N
SMILES
C1C2CC3CC1CC(C2)(C3)C(CC4=CC=CC=C4)N
InChI
InChI=1S/C18H25N/c19-17(9-13-4-2-1-3-5-13)18-10-14-6-15(11-18)8-16(7-14)12-18/h1-5,14-17H,6-12,19H2
InChIKey
DKEUCALWXMZEBF-UHFFFAOYSA-N
Compound name
1-(1-adamantyl)-2-phenylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.20598 160.5
[M+Na]+ 278.18792 160.6
[M-H]- 254.19142 157.8
[M+NH4]+ 273.23252 183.2
[M+K]+ 294.16186 155.7
[M+H-H2O]+ 238.19596 152.2
[M+HCOO]- 300.19690 166.8
[M+CH3COO]- 314.21255 167.6
[M+Na-2H]- 276.17337 169.2
[M]+ 255.19815 157.0
[M]- 255.19925 157.0
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.