CID 9570565

Nitroformaldehyde p-tolylhydrazone

Structural Information

Molecular Formula
C8H9N3O2
SMILES
CC1=CC=C(C=C1)N/N=C/[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O2/c1-7-2-4-8(5-3-7)10-9-6-11(12)13/h2-6,10H,1H3/b9-6+
InChIKey
YGVXIUBPYYCSND-RMKNXTFCSA-N
Compound name
4-methyl-N-[(E)-nitromethylideneamino]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

179.06947 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 135.2
[M+Na]+ 202.05869 147.4
[M+NH4]+ 197.10329 143.4
[M+K]+ 218.03263 143.6
[M-H]- 178.06219 139.9
[M+Na-2H]- 200.04414 142.6
[M]+ 179.06892 138.0
[M]- 179.07002 138.0
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.