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]+ 319.20162 170.4
[M+Na]+ 341.18356 169.7
[M-H]- 317.18706 167.2
[M+NH4]+ 336.22816 190.0
[M+K]+ 357.15750 167.3
[M+H-H2O]+ 301.19160 160.7
[M+HCOO]- 363.19254 175.2
[M+CH3COO]- 377.20819 176.6
[M+Na-2H]- 339.16901 178.9
[M]+ 318.19379 170.2
[M]- 318.19489 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.