CID 82603

10397-58-7

Structural Information

Molecular Formula
C8H8N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]
InChI
InChI=1S/C8H8N2O4/c1-14-7-3-2-5(8(9)11)4-6(7)10(12)13/h2-4H,1H3,(H2,9,11)
InChIKey
PCQFJXUTKOUTRW-UHFFFAOYSA-N
Compound name
4-methoxy-3-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

26
Patents

196.0484 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.05568 136.7
[M+Na]+ 219.03762 144.1
[M-H]- 195.04112 140.5
[M+NH4]+ 214.08222 154.7
[M+K]+ 235.01156 139.2
[M+H-H2O]+ 179.04566 135.2
[M+HCOO]- 241.04660 162.8
[M+CH3COO]- 255.06225 179.7
[M+Na-2H]- 217.02307 143.2
[M]+ 196.04785 135.6
[M]- 196.04895 135.6
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