CID 9570565

Formaldehyde, nitro-, 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]+ 180.076746 133.8
[M+Na]+ 202.058688 140.4
[M-H]- 178.062194 139.1
[M+NH4]+ 197.103293 153.1
[M+K]+ 218.032628 135.2
[M+H-H2O]+ 162.066730 131.8
[M+HCOO]- 224.067671 163.6
[M+CH3COO]- 238.083321 181.3
[M+Na-2H]- 200.044136 143.8
[M]+ 179.06892142 132.2
[M]- 179.07001858 132.2
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.