CID 9588809

Brn 5827710

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]+ 306.10845 166.8
[M+Na]+ 328.09039 171.1
[M-H]- 304.09389 173.0
[M+NH4]+ 323.13499 179.2
[M+K]+ 344.06433 165.6
[M+H-H2O]+ 288.09843 161.9
[M+HCOO]- 350.09937 190.5
[M+CH3COO]- 364.11502 199.7
[M+Na-2H]- 326.07584 172.9
[M]+ 305.10062 165.9
[M]- 305.10172 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