CID 9588173

72583-90-5

Structural Information

Molecular Formula
C12H13N3O3
SMILES
CCOC(=O)NN/C=N/C1=CC2=CC=CC=C2O1
InChI
InChI=1S/C12H13N3O3/c1-2-17-12(16)15-14-8-13-11-7-9-5-3-4-6-10(9)18-11/h3-8H,2H2,1H3,(H,13,14)(H,15,16)
InChIKey
LHZUSICPOSOXPP-UHFFFAOYSA-N
Compound name
ethyl N-[[(E)-1-benzofuran-2-yliminomethyl]amino]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.09569 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.102966 151.9
[M+Na]+ 270.084908 159.3
[M-H]- 246.088414 158.9
[M+NH4]+ 265.129513 170.5
[M+K]+ 286.058848 158.6
[M+H-H2O]+ 230.092950 144.5
[M+HCOO]- 292.093891 181.2
[M+CH3COO]- 306.109541 199.6
[M+Na-2H]- 268.070356 160.9
[M]+ 247.09514142 156.5
[M]- 247.09623858 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.