CID 363845

Nsc629110

Structural Information

Molecular Formula
C19H27NO
SMILES
C1C2CC3CC1CC(C2)(C3)NCCC(C4=CC=CC=C4)O
InChI
InChI=1S/C19H27NO/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/h1-5,14-16,18,20-21H,6-13H2
InChIKey
XXBRJGCJCMOIFO-UHFFFAOYSA-N
Compound name
3-(1-adamantylamino)-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

285.20926 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 166.3
[M+Na]+ 308.19848 165.3
[M-H]- 284.20198 162.4
[M+NH4]+ 303.24308 187.3
[M+K]+ 324.17242 160.5
[M+H-H2O]+ 268.20652 158.1
[M+HCOO]- 330.20746 171.5
[M+CH3COO]- 344.22311 172.5
[M+Na-2H]- 306.18393 175.4
[M]+ 285.20871 163.8
[M]- 285.20981 163.8
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

patents stripe