CID 3065769

2-(methylamino)-alpha-phenyltricyclo(3.3.1.1(sup 3,7))decane-2-ethanol hydrochloride

Structural Information

Molecular Formula
C19H27NO
SMILES
CNC1(C2CC3CC(C2)CC1C3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C19H27NO/c1-20-19(12-18(21)15-5-3-2-4-6-15)16-8-13-7-14(10-16)11-17(19)9-13/h2-6,13-14,16-18,20-21H,7-12H2,1H3
InChIKey
FMOIXMSAUFDYFD-UHFFFAOYSA-N
Compound name
2-[2-(methylamino)-2-adamantyl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 167.7
[M+Na]+ 308.19848 167.6
[M-H]- 284.20198 164.1
[M+NH4]+ 303.24308 189.0
[M+K]+ 324.17242 162.9
[M+H-H2O]+ 268.20652 159.7
[M+HCOO]- 330.20746 172.8
[M+CH3COO]- 344.22311 174.1
[M+Na-2H]- 306.18393 176.1
[M]+ 285.20871 165.5
[M]- 285.20981 165.5
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.