CID 9588800

145071-37-0

Structural Information

Molecular Formula
C15H18N2O3
SMILES
CO/N=C/C1=CCCN(C1)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C15H18N2O3/c1-19-16-10-14-8-5-9-17(11-14)15(18)20-12-13-6-3-2-4-7-13/h2-4,6-8,10H,5,9,11-12H2,1H3/b16-10+
InChIKey
FDHHGJATBSPRIB-MHWRWJLKSA-N
Compound name
benzyl 5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.13902 163.1
[M+Na]+ 297.12096 167.9
[M-H]- 273.12446 168.8
[M+NH4]+ 292.16556 177.7
[M+K]+ 313.09490 165.8
[M+H-H2O]+ 257.12900 153.7
[M+HCOO]- 319.12994 185.5
[M+CH3COO]- 333.14559 200.3
[M+Na-2H]- 295.10641 167.6
[M]+ 274.13119 163.6
[M]- 274.13229 163.6
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

No patent data available for this compound.