CID 222093

1,2-dimethoxy-4-(2-nitroethenyl)benzene

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
InChIKey
SYJMYDMKPSZMSB-UHFFFAOYSA-N
Compound name
1,2-dimethoxy-4-(2-nitroethenyl)benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

304
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 143.2
[M+Na]+ 232.05802 151.1
[M-H]- 208.06152 147.3
[M+NH4]+ 227.10262 161.6
[M+K]+ 248.03196 145.7
[M+H-H2O]+ 192.06606 141.8
[M+HCOO]- 254.06700 169.3
[M+CH3COO]- 268.08265 180.4
[M+Na-2H]- 230.04347 150.4
[M]+ 209.06825 145.2
[M]- 209.06935 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

literature stripe

Patent stripe

patents stripe