CID 40489

Adamantane, 1,3-bis(2-dimethylaminoethyl)-, dihydrochloride

Structural Information

Molecular Formula
C18H34N2
SMILES
CN(C)CCC12CC3CC(C1)CC(C3)(C2)CCN(C)C
InChI
InChI=1S/C18H34N2/c1-19(2)7-5-17-10-15-9-16(11-17)13-18(12-15,14-17)6-8-20(3)4/h15-16H,5-14H2,1-4H3
InChIKey
HOWZROKYGJHEAS-UHFFFAOYSA-N
Compound name
2-[3-[2-(dimethylamino)ethyl]-1-adamantyl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.2722 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.27948 173.3
[M+Na]+ 301.26142 180.1
[M+NH4]+ 296.30602 187.3
[M+K]+ 317.23536 168.2
[M-H]- 277.26492 173.1
[M+Na-2H]- 299.24687 171.4
[M]+ 278.27165 174.4
[M]- 278.27275 174.4
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.