CID 3308571

3-methyl-4-nitrobenzhydrazide

Structural Information

Molecular Formula
C8H9N3O3
SMILES
CC1=C(C=CC(=C1)C(=O)NN)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O3/c1-5-4-6(8(12)10-9)2-3-7(5)11(13)14/h2-4H,9H2,1H3,(H,10,12)
InChIKey
SMRIMKXHORAHJR-UHFFFAOYSA-N
Compound name
3-methyl-4-nitrobenzohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

57
Patents

195.06439 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.071666 136.9
[M+Na]+ 218.053608 143.6
[M-H]- 194.057114 140.7
[M+NH4]+ 213.098213 154.7
[M+K]+ 234.027548 138.2
[M+H-H2O]+ 178.061650 135.2
[M+HCOO]- 240.062591 163.8
[M+CH3COO]- 254.078241 181.8
[M+Na-2H]- 216.039056 143.6
[M]+ 195.06384142 133.5
[M]- 195.06493858 133.5
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