CID 181238

2-(2-adamantylidene)ethanamine

Structural Information

Molecular Formula
C12H19N
SMILES
C1C2CC3CC1CC(C2)C3=CCN
InChI
InChI=1S/C12H19N/c13-2-1-12-10-4-8-3-9(6-10)7-11(12)5-8/h1,8-11H,2-7,13H2
InChIKey
ZBAAIPQSHIKBQA-UHFFFAOYSA-N
Compound name
2-(2-adamantylidene)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

177.15175 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.159026 140.8
[M+Na]+ 200.140968 142.7
[M-H]- 176.144474 135.8
[M+NH4]+ 195.185573 165.6
[M+K]+ 216.114908 138.9
[M+H-H2O]+ 160.149010 135.6
[M+HCOO]- 222.149951 149.0
[M+CH3COO]- 236.165601 149.7
[M+Na-2H]- 198.126416 150.2
[M]+ 177.15120142 137.9
[M]- 177.15229858 137.9
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