CID 36002

31898-01-8

Structural Information

Molecular Formula
C14H23Cl2N
SMILES
CC(CC12CC3CC(C1Cl)CC(C3)C2Cl)NC
InChI
InChI=1S/C14H23Cl2N/c1-8(17-2)6-14-7-9-3-10(12(14)15)5-11(4-9)13(14)16/h8-13,17H,3-7H2,1-2H3
InChIKey
BAYXBBAKIZEXDN-UHFFFAOYSA-N
Compound name
1-(2,8-dichloro-1-adamantyl)-N-methylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.12076 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12804 168.1
[M+Na]+ 298.10998 171.8
[M-H]- 274.11348 162.8
[M+NH4]+ 293.15458 192.6
[M+K]+ 314.08392 166.1
[M+H-H2O]+ 258.11802 164.7
[M+HCOO]- 320.11896 165.9
[M+CH3COO]- 334.13461 175.5
[M+Na-2H]- 296.09543 174.6
[M]+ 275.12021 170.4
[M]- 275.12131 170.4
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.