CID 3506795

N,3-dimethyladamantan-1-amine

Structural Information

Molecular Formula
C12H21N
SMILES
CC12CC3CC(C1)CC(C3)(C2)NC
InChI
InChI=1S/C12H21N/c1-11-4-9-3-10(5-11)7-12(6-9,8-11)13-2/h9-10,13H,3-8H2,1-2H3
InChIKey
MLFKFKHFVQWDDY-UHFFFAOYSA-N
Compound name
N,3-dimethyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

179.1674 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 143.8
[M+Na]+ 202.15662 146.8
[M-H]- 178.16012 139.5
[M+NH4]+ 197.20122 172.4
[M+K]+ 218.13056 143.3
[M+H-H2O]+ 162.16466 137.4
[M+HCOO]- 224.16560 152.1
[M+CH3COO]- 238.18125 153.2
[M+Na-2H]- 200.14207 156.0
[M]+ 179.16685 142.7
[M]- 179.16795 142.7
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

patents stripe