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 133.8
[M+Na]+ 202.05869 140.4
[M-H]- 178.06219 139.1
[M+NH4]+ 197.10329 153.1
[M+K]+ 218.03263 135.2
[M+H-H2O]+ 162.06673 131.8
[M+HCOO]- 224.06767 163.6
[M+CH3COO]- 238.08332 181.3
[M+Na-2H]- 200.04414 143.8
[M]+ 179.06892 132.2
[M]- 179.07002 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.