CID 9588810

Brn 5820550

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]+ 275.13902 163.7
[M+Na]+ 297.12096 175.8
[M+NH4]+ 292.16556 170.7
[M+K]+ 313.09490 169.2
[M-H]- 273.12446 167.2
[M+Na-2H]- 295.10641 170.9
[M]+ 274.13119 166.2
[M]- 274.13229 166.2
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