CID 6876708

3-nitrobenzaldehyde dimethylhydrazone

Structural Information

Molecular Formula
C9H11N3O2
SMILES
CN(C)/N=C/C1=CC(=CC=C1)[N+](=O)[O-]
InChI
InChI=1S/C9H11N3O2/c1-11(2)10-7-8-4-3-5-9(6-8)12(13)14/h3-7H,1-2H3/b10-7+
InChIKey
DWRUVQSAQYOWIR-JXMROGBWSA-N
Compound name
N-methyl-N-[(E)-(3-nitrophenyl)methylideneamino]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.08513 Da
Monoisotopic Mass

2.2
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

No patent data available for this compound.