CID 19476

1-(methylamino)adamantane

Structural Information

Molecular Formula
C11H19N
SMILES
CNC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C11H19N/c1-12-11-5-8-2-9(6-11)4-10(3-8)7-11/h8-10,12H,2-7H2,1H3
InChIKey
NZOLSRPWNVZXTK-UHFFFAOYSA-N
Compound name
N-methyladamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

793
Patents

165.15175 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.159026 137.5
[M+Na]+ 188.140968 139.7
[M-H]- 164.144474 133.1
[M+NH4]+ 183.185573 164.7
[M+K]+ 204.114908 136.7
[M+H-H2O]+ 148.149010 131.6
[M+HCOO]- 210.149951 146.3
[M+CH3COO]- 224.165601 147.0
[M+Na-2H]- 186.126416 149.7
[M]+ 165.15120142 135.8
[M]- 165.15229858 135.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe