CID 3010122

N,n-diallyladamantan-1-amine

Structural Information

Molecular Formula
C16H25N
SMILES
C=CCN(CC=C)C12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C16H25N/c1-3-5-17(6-4-2)16-10-13-7-14(11-16)9-15(8-13)12-16/h3-4,13-15H,1-2,5-12H2
InChIKey
NXJGVQGXODRCEA-UHFFFAOYSA-N
Compound name
N,N-bis(prop-2-enyl)adamantan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

231.1987 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 158.4
[M+Na]+ 254.18792 158.7
[M-H]- 230.19142 154.1
[M+NH4]+ 249.23252 183.2
[M+K]+ 270.16186 154.7
[M+H-H2O]+ 214.19596 151.4
[M+HCOO]- 276.19690 166.0
[M+CH3COO]- 290.21255 166.1
[M+Na-2H]- 252.17337 166.9
[M]+ 231.19815 157.7
[M]- 231.19925 157.7
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