CID 9588806

145071-43-8

Structural Information

Molecular Formula
C14H15FN2O3
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)F
InChI
InChI=1S/C14H15FN2O3/c1-19-16-9-11-3-2-8-17(10-11)14(18)20-13-6-4-12(15)5-7-13/h3-7,9H,2,8,10H2,1H3/b16-9+
InChIKey
SQDCDDUZUXEDFQ-CXUHLZMHSA-N
Compound name
(4-fluorophenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.10666 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.113936 161.4
[M+Na]+ 301.095878 167.7
[M-H]- 277.099384 166.4
[M+NH4]+ 296.140483 176.2
[M+K]+ 317.069818 165.4
[M+H-H2O]+ 261.103920 151.5
[M+HCOO]- 323.104861 183.1
[M+CH3COO]- 337.120511 201.1
[M+Na-2H]- 299.081326 165.2
[M]+ 278.10611142 161.0
[M]- 278.10720858 161.0
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.