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]+ 279.11394 161.4
[M+Na]+ 301.09588 167.7
[M-H]- 277.09938 166.4
[M+NH4]+ 296.14048 176.2
[M+K]+ 317.06982 165.4
[M+H-H2O]+ 261.10392 151.5
[M+HCOO]- 323.10486 183.1
[M+CH3COO]- 337.12051 201.1
[M+Na-2H]- 299.08133 165.2
[M]+ 278.10611 161.0
[M]- 278.10721 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.