CID 5743526

Akos030242470

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CCOC(=N)C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H10N2O3/c1-2-14-9(10)7-4-3-5-8(6-7)11(12)13/h3-6,10H,2H2,1H3
InChIKey
UQEHCRMPJGAFTJ-UHFFFAOYSA-N
Compound name
ethyl 3-nitrobenzenecarboximidate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

194.06914 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 138.9
[M+Na]+ 217.058358 145.1
[M-H]- 193.061864 142.7
[M+NH4]+ 212.102963 157.1
[M+K]+ 233.032298 139.8
[M+H-H2O]+ 177.066400 137.2
[M+HCOO]- 239.067341 165.1
[M+CH3COO]- 253.082991 179.5
[M+Na-2H]- 215.043806 146.3
[M]+ 194.06859142 137.2
[M]- 194.06968858 137.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe