CID 13802839

88812-66-2

Structural Information

Molecular Formula
C11H9N3O3
SMILES
CC1=CC(=NO1)N=CC2=CC(=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C11H9N3O3/c1-8-5-11(13-17-8)12-7-9-3-2-4-10(6-9)14(15)16/h2-7H,1H3
InChIKey
WKOHMUUUDGDKJI-UHFFFAOYSA-N
Compound name
N-(5-methyl-1,2-oxazol-3-yl)-1-(3-nitrophenyl)methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.06439 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.07167 147.8
[M+Na]+ 254.05361 161.5
[M+NH4]+ 249.09821 155.4
[M+K]+ 270.02755 159.9
[M-H]- 230.05711 154.0
[M+Na-2H]- 252.03906 155.5
[M]+ 231.06384 151.3
[M]- 231.06494 151.3
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.