CID 64245

24644-08-4

Structural Information

Molecular Formula
C12H21N
SMILES
C1C2CC3CC1CC(C2)(C3)CCN
InChI
InChI=1S/C12H21N/c13-2-1-12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,1-8,13H2
InChIKey
SNJMEUDNDRSJAS-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

336
Patents

179.1674 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.174676 143.4
[M+Na]+ 202.156618 145.2
[M-H]- 178.160124 138.2
[M+NH4]+ 197.201223 169.8
[M+K]+ 218.130558 141.7
[M+H-H2O]+ 162.164660 137.4
[M+HCOO]- 224.165601 151.2
[M+CH3COO]- 238.181251 152.2
[M+Na-2H]- 200.142066 154.0
[M]+ 179.16685142 141.1
[M]- 179.16794858 141.1
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