CID 709688

4230-93-7

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=C(C=C(C=C1)/C=C/[N+](=O)[O-])OC
InChI
InChI=1S/C10H11NO4/c1-14-9-4-3-8(5-6-11(12)13)7-10(9)15-2/h3-7H,1-2H3/b6-5+
InChIKey
SYJMYDMKPSZMSB-AATRIKPKSA-N
Compound name
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

230
Patents

209.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.7
[M+Na]+ 232.05802 155.9
[M+NH4]+ 227.10262 150.2
[M+K]+ 248.03196 152.4
[M-H]- 208.06152 145.3
[M+Na-2H]- 230.04347 148.5
[M]+ 209.06825 145.1
[M]- 209.06935 145.1
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