CID 64607

3-(adamant-3-ylamino)pyridine

Structural Information

Molecular Formula
C15H20N2
SMILES
C1C2CC3CC1CC(C2)C3NC4=CN=CC=C4
InChI
InChI=1S/C15H20N2/c1-2-14(9-16-3-1)17-15-12-5-10-4-11(7-12)8-13(15)6-10/h1-3,9-13,15,17H,4-8H2
InChIKey
NJIYTWCEQIQWDC-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)pyridin-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.16264 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.16992 146.7
[M+Na]+ 251.15186 148.0
[M-H]- 227.15536 143.7
[M+NH4]+ 246.19646 167.9
[M+K]+ 267.12580 143.9
[M+H-H2O]+ 211.15990 138.4
[M+HCOO]- 273.16084 154.7
[M+CH3COO]- 287.17649 154.9
[M+Na-2H]- 249.13731 158.2
[M]+ 228.16209 144.6
[M]- 228.16319 144.6
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

No patent data available for this compound.