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 171.0
[M+Na]+ 322.11407 175.0
[M-H]- 298.11757 169.8
[M+NH4]+ 317.15867 196.5
[M+K]+ 338.08801 164.9
[M+H-H2O]+ 282.12211 170.1
[M+HCOO]- 344.12305 176.9
[M+CH3COO]- 358.13870 180.3
[M+Na-2H]- 320.09952 179.4
[M]+ 299.12430 189.2
[M]- 299.12540 189.2
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.