CID 40437

1-adamantaneethylamine, 2-chloro-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C13H22ClN
SMILES
CNCCC12CC3CC(C1)CC(C3)C2Cl
InChI
InChI=1S/C13H22ClN/c1-15-3-2-13-7-9-4-10(8-13)6-11(5-9)12(13)14/h9-12,15H,2-8H2,1H3
InChIKey
VGQNATXTKJMSEY-UHFFFAOYSA-N
Compound name
2-(2-chloro-1-adamantyl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

227.14407 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.15135 155.2
[M+Na]+ 250.13329 158.3
[M-H]- 226.13679 150.4
[M+NH4]+ 245.17789 181.1
[M+K]+ 266.10723 153.3
[M+H-H2O]+ 210.14133 150.3
[M+HCOO]- 272.14227 159.0
[M+CH3COO]- 286.15792 163.7
[M+Na-2H]- 248.11874 165.0
[M]+ 227.14352 156.4
[M]- 227.14462 156.4
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.