CID 3010124

N-(2-chloroethyl)-n-methyl-adamantan-1-amine

Structural Information

Molecular Formula
C13H22ClN
SMILES
CN(CCCl)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H22ClN/c1-15(3-2-14)13-7-10-4-11(8-13)6-12(5-10)9-13/h10-12H,2-9H2,1H3
InChIKey
XVUMZOPASBMXSJ-UHFFFAOYSA-N
Compound name
N-(2-chloroethyl)-N-methyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.14407 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15135 155.2
[M+Na]+ 250.13329 157.3
[M-H]- 226.13679 151.4
[M+NH4]+ 245.17789 181.3
[M+K]+ 266.10723 153.5
[M+H-H2O]+ 210.14133 149.7
[M+HCOO]- 272.14227 159.4
[M+CH3COO]- 286.15792 163.8
[M+Na-2H]- 248.11874 164.7
[M]+ 227.14352 157.0
[M]- 227.14462 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.