CID 202444

4-nitrobenzaldehyde 2,2-dimethylhydrazone

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN(C)N=CC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O2/c1-11(2)10-7-8-3-5-9(6-4-8)12(13)14/h3-7H,1-2H3
InChIKey
IPBHNKLEYSNEBU-UHFFFAOYSA-N
Compound name
N-methyl-N-[(4-nitrophenyl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1
Patents

193.08513 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.09241 139.1
[M+Na]+ 216.07435 145.4
[M-H]- 192.07785 145.7
[M+NH4]+ 211.11895 158.5
[M+K]+ 232.04829 141.4
[M+H-H2O]+ 176.08239 136.7
[M+HCOO]- 238.08333 169.0
[M+CH3COO]- 252.09898 187.9
[M+Na-2H]- 214.05980 147.7
[M]+ 193.08458 139.1
[M]- 193.08568 139.1
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

No patent data available for this compound.