CID 2758749

2-ethoxy-6-(2-nitroethenyl)phenol

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCOC1=CC=CC(=C1O)C=C[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-2-15-9-5-3-4-8(10(9)12)6-7-11(13)14/h3-7,12H,2H2,1H3
InChIKey
IYDHELOQZJRCML-UHFFFAOYSA-N
Compound name
2-ethoxy-6-(2-nitroethenyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 143.2
[M+Na]+ 232.058018 150.7
[M-H]- 208.061524 145.9
[M+NH4]+ 227.102623 160.9
[M+K]+ 248.031958 144.3
[M+H-H2O]+ 192.066060 142.1
[M+HCOO]- 254.067001 167.8
[M+CH3COO]- 268.082651 177.5
[M+Na-2H]- 230.043466 150.0
[M]+ 209.06825142 143.4
[M]- 209.06934858 143.4
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

patents stripe