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]+ 229.169916 146.7
[M+Na]+ 251.151858 148.0
[M-H]- 227.155364 143.7
[M+NH4]+ 246.196463 167.9
[M+K]+ 267.125798 143.9
[M+H-H2O]+ 211.159900 138.4
[M+HCOO]- 273.160841 154.7
[M+CH3COO]- 287.176491 154.9
[M+Na-2H]- 249.137306 158.2
[M]+ 228.16209142 144.6
[M]- 228.16318858 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.