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 173.7
[M+Na]+ 301.26142 173.0
[M-H]- 277.26492 170.1
[M+NH4]+ 296.30602 198.8
[M+K]+ 317.23536 171.0
[M+H-H2O]+ 261.26946 165.7
[M+HCOO]- 323.27040 181.3
[M+CH3COO]- 337.28605 180.6
[M+Na-2H]- 299.24687 181.5
[M]+ 278.27165 175.6
[M]- 278.27275 175.6
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.