CID 40437

52582-98-6

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]+ 228.151346 155.2
[M+Na]+ 250.133288 158.3
[M-H]- 226.136794 150.4
[M+NH4]+ 245.177893 181.1
[M+K]+ 266.107228 153.3
[M+H-H2O]+ 210.141330 150.3
[M+HCOO]- 272.142271 159.0
[M+CH3COO]- 286.157921 163.7
[M+Na-2H]- 248.118736 165.0
[M]+ 227.14352142 156.4
[M]- 227.14461858 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.