CID 595900

3-methyl-4-nitrobenzamide

Structural Information

Molecular Formula
C8H8N2O3
SMILES
CC1=C(C=CC(=C1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O3/c1-5-4-6(8(9)11)2-3-7(5)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKey
BCAAGQMIPKPDDX-UHFFFAOYSA-N
Compound name
3-methyl-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

180.0535 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.06078 134.4
[M+Na]+ 203.04272 146.5
[M+NH4]+ 198.08732 141.9
[M+K]+ 219.01666 144.5
[M-H]- 179.04622 137.5
[M+Na-2H]- 201.02817 140.0
[M]+ 180.05295 136.7
[M]- 180.05405 136.7
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

patents stripe