CID 9588804

145071-41-6

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OC23CC4CC(C2)CC(C4)C3
InChI
InChI=1S/C18H26N2O3/c1-22-19-11-13-3-2-4-20(12-13)17(21)23-18-8-14-5-15(9-18)7-16(6-14)10-18/h3,11,14-16H,2,4-10,12H2,1H3/b19-11+
InChIKey
CUFDDDHXIYYIFC-YBFXNURJSA-N
Compound name
1-adamantyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.201616 170.4
[M+Na]+ 341.183558 169.7
[M-H]- 317.187064 167.2
[M+NH4]+ 336.228163 190.0
[M+K]+ 357.157498 167.3
[M+H-H2O]+ 301.191600 160.7
[M+HCOO]- 363.192541 175.2
[M+CH3COO]- 377.208191 176.6
[M+Na-2H]- 339.169006 178.9
[M]+ 318.19379142 170.2
[M]- 318.19488858 170.2
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.