CID 9578621

Benzaldehyde, 3-(((methylamino)carbonyl)oxy)-, o-((methylamino)carbonyl)oxime

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CNC(=O)OC1=CC=CC(=C1)/C=N/OC(=O)NC
InChI
InChI=1S/C11H13N3O4/c1-12-10(15)17-9-5-3-4-8(6-9)7-14-18-11(16)13-2/h3-7H,1-2H3,(H,12,15)(H,13,16)/b14-7+
InChIKey
BDNKDUTXGHPKJW-VGOFMYFVSA-N
Compound name
[3-[(E)-methylcarbamoyloxyiminomethyl]phenyl] N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0906 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 154.0
[M+Na]+ 274.07982 159.6
[M-H]- 250.08332 159.1
[M+NH4]+ 269.12442 170.8
[M+K]+ 290.05376 159.6
[M+H-H2O]+ 234.08786 146.2
[M+HCOO]- 296.08880 182.0
[M+CH3COO]- 310.10445 200.3
[M+Na-2H]- 272.06527 159.5
[M]+ 251.09005 156.5
[M]- 251.09115 156.5
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.