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]+ 248.10297 151.9
[M+Na]+ 270.08491 159.3
[M-H]- 246.08841 158.9
[M+NH4]+ 265.12951 170.5
[M+K]+ 286.05885 158.6
[M+H-H2O]+ 230.09295 144.5
[M+HCOO]- 292.09389 181.2
[M+CH3COO]- 306.10954 199.6
[M+Na-2H]- 268.07036 160.9
[M]+ 247.09514 156.5
[M]- 247.09624 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.