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]+ 232.071666 148.4
[M+Na]+ 254.053608 156.3
[M-H]- 230.057114 156.5
[M+NH4]+ 249.098213 164.9
[M+K]+ 270.027548 151.1
[M+H-H2O]+ 214.061650 145.0
[M+HCOO]- 276.062591 176.3
[M+CH3COO]- 290.078241 187.2
[M+Na-2H]- 252.039056 157.3
[M]+ 231.06384142 149.5
[M]- 231.06493858 149.5
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.