CID 5375912

40276-11-7

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

209.0688 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.2
[M+Na]+ 232.058018 151.1
[M-H]- 208.061524 147.3
[M+NH4]+ 227.102623 161.6
[M+K]+ 248.031958 145.7
[M+H-H2O]+ 192.066060 141.8
[M+HCOO]- 254.067001 169.3
[M+CH3COO]- 268.082651 180.4
[M+Na-2H]- 230.043466 150.4
[M]+ 209.06825142 145.2
[M]- 209.06934858 145.2
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

No patent data available for this compound.