CID 40491

1,3-bis(2-dimethylaminopropyl)adamantane dihydrochloride

Structural Information

Molecular Formula
C20H38N2
SMILES
CC(CC12CC3CC(C1)CC(C3)(C2)CC(C)N(C)C)N(C)C
InChI
InChI=1S/C20H38N2/c1-15(21(3)4)8-19-10-17-7-18(11-19)13-20(12-17,14-19)9-16(2)22(5)6/h15-18H,7-14H2,1-6H3
InChIKey
MAUPEEOLISTDHT-UHFFFAOYSA-N
Compound name
1-[3-[2-(dimethylamino)propyl]-1-adamantyl]-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.3035 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.31078 184.7
[M+Na]+ 329.29272 182.4
[M-H]- 305.29622 180.4
[M+NH4]+ 324.33732 208.4
[M+K]+ 345.26666 181.1
[M+H-H2O]+ 289.30076 177.1
[M+HCOO]- 351.30170 189.4
[M+CH3COO]- 365.31735 228.0
[M+Na-2H]- 327.27817 189.0
[M]+ 306.30295 185.8
[M]- 306.30405 185.8
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.