CID 9588816

Brn 5820842

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CO/N=C/C1=CCCN(C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H16N2O3/c1-18-15-10-12-6-5-9-16(11-12)19-14(17)13-7-3-2-4-8-13/h2-4,6-8,10H,5,9,11H2,1H3/b15-10+
InChIKey
SXXUSDSNXCLMGB-XNTDXEJSSA-N
Compound name
[5-[(E)-methoxyiminomethyl]-3,6-dihydro-2H-pyridin-1-yl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 158.2
[M+Na]+ 283.10532 163.4
[M-H]- 259.10882 164.1
[M+NH4]+ 278.14992 173.4
[M+K]+ 299.07926 161.6
[M+H-H2O]+ 243.11336 149.0
[M+HCOO]- 305.11430 181.0
[M+CH3COO]- 319.12995 197.9
[M+Na-2H]- 281.09077 163.4
[M]+ 260.11555 158.5
[M]- 260.11665 158.5
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.