CID 15001944

Hc yellow no. 14

Structural Information

Molecular Formula
C9H9N3O3
SMILES
C1=CC(=C(C=C1C#N)[N+](=O)[O-])NCCO
InChI
InChI=1S/C9H9N3O3/c10-6-7-1-2-8(11-3-4-13)9(5-7)12(14)15/h1-2,5,11,13H,3-4H2
InChIKey
PWOSOZQHIRPPHP-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)-3-nitrobenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1810
Patents

207.06439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.07167 145.0
[M+Na]+ 230.05361 156.0
[M+NH4]+ 225.09821 148.7
[M+K]+ 246.02755 149.9
[M-H]- 206.05711 140.4
[M+Na-2H]- 228.03906 147.7
[M]+ 207.06384 144.1
[M]- 207.06494 144.1
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

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