CID 5380390

37630-20-9

Structural Information

Molecular Formula
C10H11NO4
SMILES
COC1=CC=CC(=C1OC)/C=C/[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-14-9-5-3-4-8(10(9)15-2)6-7-11(12)13/h3-7H,1-2H3/b7-6+
InChIKey
OFJZSDMKKDTNHZ-VOTSOKGWSA-N
Compound name
1,2-dimethoxy-3-[(E)-2-nitroethenyl]benzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

18
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

literature stripe

Patent stripe

patents stripe