CID 42966

59177-62-7

Structural Information

Molecular Formula
C12H20ClN
SMILES
CNCC12CC3CC(C1)CC(C3)C2Cl
InChI
InChI=1S/C12H20ClN/c1-14-7-12-5-8-2-9(6-12)4-10(3-8)11(12)13/h8-11,14H,2-7H2,1H3
InChIKey
WOFABTJMABJYIQ-UHFFFAOYSA-N
Compound name
1-(2-chloro-1-adamantyl)-N-methylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

213.12843 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.135706 150.6
[M+Na]+ 236.117648 154.1
[M-H]- 212.121154 146.1
[M+NH4]+ 231.162253 177.0
[M+K]+ 252.091588 149.3
[M+H-H2O]+ 196.125690 145.9
[M+HCOO]- 258.126631 154.7
[M+CH3COO]- 272.142281 159.5
[M+Na-2H]- 234.103096 160.9
[M]+ 213.12788142 151.5
[M]- 213.12897858 151.5
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.