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]+ 300.23218 172.2
[M+Na]+ 322.21412 171.6
[M-H]- 298.21762 168.3
[M+NH4]+ 317.25872 192.9
[M+K]+ 338.18806 166.7
[M+H-H2O]+ 282.22216 164.0
[M+HCOO]- 344.22310 176.9
[M+CH3COO]- 358.23875 178.1
[M+Na-2H]- 320.19957 180.0
[M]+ 299.22435 170.3
[M]- 299.22545 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