CID 9588809

1(2h)-pyridinecarboxylic acid, 3,6-dihydro-5-((methoxyimino)methyl)-, 4-nitrophenyl ester, (e)-

Structural Information

Molecular Formula
C14H15N3O5
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C14H15N3O5/c1-21-15-9-11-3-2-8-16(10-11)14(18)22-13-6-4-12(5-7-13)17(19)20/h3-7,9H,2,8,10H2,1H3/b15-9+
InChIKey
XBEILLPHWGCCKO-OQLLNIDSSA-N
Compound name
(4-nitrophenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.10117 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.108446 166.8
[M+Na]+ 328.090388 171.1
[M-H]- 304.093894 173.0
[M+NH4]+ 323.134993 179.2
[M+K]+ 344.064328 165.6
[M+H-H2O]+ 288.098430 161.9
[M+HCOO]- 350.099371 190.5
[M+CH3COO]- 364.115021 199.7
[M+Na-2H]- 326.075836 172.9
[M]+ 305.10062142 165.9
[M]- 305.10171858 165.9
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

patents stripe