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]+ 286.216536 167.7
[M+Na]+ 308.198478 167.6
[M-H]- 284.201984 164.1
[M+NH4]+ 303.243083 189.0
[M+K]+ 324.172418 162.9
[M+H-H2O]+ 268.206520 159.7
[M+HCOO]- 330.207461 172.8
[M+CH3COO]- 344.223111 174.1
[M+Na-2H]- 306.183926 176.1
[M]+ 285.20871142 165.5
[M]- 285.20980858 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.