CID 64411

2-(adamantan-2-yl)ethanamine

Structural Information

Molecular Formula
C12H21N
SMILES
C1C2CC3CC1CC(C2)C3CCN
InChI
InChI=1S/C12H21N/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h8-12H,1-7,13H2
InChIKey
QQIDWRBNXQXUMI-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

37
Patents

179.1674 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.17468 142.2
[M+Na]+ 202.15662 143.7
[M-H]- 178.16012 137.1
[M+NH4]+ 197.20122 166.9
[M+K]+ 218.13056 140.5
[M+H-H2O]+ 162.16466 136.9
[M+HCOO]- 224.16560 150.1
[M+CH3COO]- 238.18125 151.0
[M+Na-2H]- 200.14207 151.5
[M]+ 179.16685 140.0
[M]- 179.16795 140.0
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