CID 40443

2-bromo-n,n-dimethyl-1-adamantanepropanamine hydrochloride

Structural Information

Molecular Formula
C15H26BrN
SMILES
CN(C)CCCC12CC3CC(C1)CC(C3)C2Br
InChI
InChI=1S/C15H26BrN/c1-17(2)5-3-4-15-9-11-6-12(10-15)8-13(7-11)14(15)16/h11-14H,3-10H2,1-2H3
InChIKey
VMSZCCQQHSTVKY-UHFFFAOYSA-N
Compound name
3-(2-bromo-1-adamantyl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.12485 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13213 169.7
[M+Na]+ 322.11407 169.3
[M+NH4]+ 317.15867 178.4
[M+K]+ 338.08801 165.3
[M-H]- 298.11757 167.9
[M+Na-2H]- 320.09952 164.4
[M]+ 299.12430 168.0
[M]- 299.12540 168.0
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.