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]+ 256.205976 160.5
[M+Na]+ 278.187918 160.6
[M-H]- 254.191424 157.8
[M+NH4]+ 273.232523 183.2
[M+K]+ 294.161858 155.7
[M+H-H2O]+ 238.195960 152.2
[M+HCOO]- 300.196901 166.8
[M+CH3COO]- 314.212551 167.6
[M+Na-2H]- 276.173366 169.2
[M]+ 255.19815142 157.0
[M]- 255.19924858 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.