CID 47301

1-admantyl isonicotinate

Structural Information

Molecular Formula
C16H19NO2
SMILES
C1C2CC3CC1CC(C2)(C3)OC(=O)C4=CC=NC=C4
InChI
InChI=1S/C16H19NO2/c18-15(14-1-3-17-4-2-14)19-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2
InChIKey
CPLGGZBGOPPANE-UHFFFAOYSA-N
Compound name
1-adamantyl pyridine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.14157 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.148846 157.0
[M+Na]+ 280.130788 158.6
[M-H]- 256.134294 153.9
[M+NH4]+ 275.175393 178.7
[M+K]+ 296.104728 155.2
[M+H-H2O]+ 240.138830 147.8
[M+HCOO]- 302.139771 162.9
[M+CH3COO]- 316.155421 164.8
[M+Na-2H]- 278.116236 167.6
[M]+ 257.14102142 157.0
[M]- 257.14211858 157.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.