CID 363844

Nsc629109

Structural Information

Molecular Formula
C19H25NO
SMILES
C1C2CC3CC1CC(C2)(C3)NCCC(=O)C4=CC=CC=C4
InChI
InChI=1S/C19H25NO/c21-18(17-4-2-1-3-5-17)6-7-20-19-11-14-8-15(12-19)10-16(9-14)13-19/h1-5,14-16,20H,6-13H2
InChIKey
UHONZWXJELFMEX-UHFFFAOYSA-N
Compound name
3-(1-adamantylamino)-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

283.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.20088 165.1
[M+Na]+ 306.18282 164.7
[M-H]- 282.18632 162.5
[M+NH4]+ 301.22742 186.7
[M+K]+ 322.15676 160.1
[M+H-H2O]+ 266.19086 156.4
[M+HCOO]- 328.19180 171.9
[M+CH3COO]- 342.20745 171.9
[M+Na-2H]- 304.16827 174.5
[M]+ 283.19305 163.5
[M]- 283.19415 163.5
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.