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]+ 194.092406 139.1
[M+Na]+ 216.074348 145.4
[M-H]- 192.077854 145.7
[M+NH4]+ 211.118953 158.5
[M+K]+ 232.048288 141.4
[M+H-H2O]+ 176.082390 136.7
[M+HCOO]- 238.083331 169.0
[M+CH3COO]- 252.098981 187.9
[M+Na-2H]- 214.059796 147.7
[M]+ 193.08458142 139.1
[M]- 193.08567858 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

patents stripe