CID 19889016

N-cyanomethyl-n-methyl-4-nitroaniline

Structural Information

Molecular Formula
C9H9N3O2
SMILES
CN(CC#N)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H9N3O2/c1-11(7-6-10)8-2-4-9(5-3-8)12(13)14/h2-5H,7H2,1H3
InChIKey
DJOYTAUERRJRAT-UHFFFAOYSA-N
Compound name
2-(N-methyl-4-nitroanilino)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12608
Patents

191.06947 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.07675 142.5
[M+Na]+ 214.05869 154.3
[M+NH4]+ 209.10329 147.3
[M+K]+ 230.03263 147.7
[M-H]- 190.06219 139.1
[M+Na-2H]- 212.04414 146.6
[M]+ 191.06892 142.3
[M]- 191.07002 142.3
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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