CID 9588808

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

Structural Information

Molecular Formula
C14H15BrN2O3
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H15BrN2O3/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
MHBMDVMWOYBAFW-CXUHLZMHSA-N
Compound name
(4-bromophenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

338.0266 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03388 166.7
[M+Na]+ 361.01582 175.6
[M-H]- 337.01932 175.2
[M+NH4]+ 356.06042 182.9
[M+K]+ 376.98976 165.2
[M+H-H2O]+ 321.02386 164.0
[M+HCOO]- 383.02480 186.9
[M+CH3COO]- 397.04045 207.2
[M+Na-2H]- 359.00127 172.1
[M]+ 338.02605 185.9
[M]- 338.02715 185.9
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