CID 3065757

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

Structural Information

Molecular Formula
C20H29NO
SMILES
CCNC1(C2CC3CC(C2)CC1C3)CC(C4=CC=CC=C4)O
InChI
InChI=1S/C20H29NO/c1-2-21-20(13-19(22)16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(20)10-14/h3-7,14-15,17-19,21-22H,2,8-13H2,1H3
InChIKey
VEGBFLAQTLXGHH-UHFFFAOYSA-N
Compound name
2-[2-(ethylamino)-2-adamantyl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

299.2249 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.232176 172.2
[M+Na]+ 322.214118 171.6
[M-H]- 298.217624 168.3
[M+NH4]+ 317.258723 192.9
[M+K]+ 338.188058 166.7
[M+H-H2O]+ 282.222160 164.0
[M+HCOO]- 344.223101 176.9
[M+CH3COO]- 358.238751 178.1
[M+Na-2H]- 320.199566 180.0
[M]+ 299.22435142 170.3
[M]- 299.22544858 170.3
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