CID 35980

31897-85-5

Structural Information

Molecular Formula
C18H32ClN
SMILES
CC(CC12CC3(CC(C1)(CC(C3)(C2Cl)C)C)C)N(C)C
InChI
InChI=1S/C18H32ClN/c1-13(20(5)6)7-18-11-15(2)8-16(3,12-18)10-17(4,9-15)14(18)19/h13-14H,7-12H2,1-6H3
InChIKey
WUFIDVOIDYWSLS-UHFFFAOYSA-N
Compound name
1-(2-chloro-3,5,7-trimethyl-1-adamantyl)-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.22232 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.22960 177.0
[M+Na]+ 320.21154 181.1
[M-H]- 296.21504 173.3
[M+NH4]+ 315.25614 206.0
[M+K]+ 336.18548 176.3
[M+H-H2O]+ 280.21958 170.6
[M+HCOO]- 342.22052 178.0
[M+CH3COO]- 356.23617 184.6
[M+Na-2H]- 318.19699 184.5
[M]+ 297.22177 181.0
[M]- 297.22287 181.0
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.