CID 9588810

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

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CC1=CC=C(C=C1)OC(=O)N2CCC=C(C2)/C=N/OC
InChI
InChI=1S/C15H18N2O3/c1-12-5-7-14(8-6-12)20-15(18)17-9-3-4-13(11-17)10-16-19-2/h4-8,10H,3,9,11H2,1-2H3/b16-10+
InChIKey
KQJPLIWYFOPKDL-MHWRWJLKSA-N
Compound name
(4-methylphenyl) 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

274.13174 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.139016 163.0
[M+Na]+ 297.120958 168.8
[M-H]- 273.124464 169.2
[M+NH4]+ 292.165563 178.0
[M+K]+ 313.094898 166.8
[M+H-H2O]+ 257.129000 153.9
[M+HCOO]- 319.129941 185.5
[M+CH3COO]- 333.145591 201.5
[M+Na-2H]- 295.106406 166.9
[M]+ 274.13119142 164.0
[M]- 274.13228858 164.0
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

patents stripe