CID 49985

2-methoxy-4-nitrophenyl acetate

Structural Information

Molecular Formula
C9H9NO5
SMILES
CC(=O)OC1=C(C=C(C=C1)[N+](=O)[O-])OC
InChI
InChI=1S/C9H9NO5/c1-6(11)15-8-4-3-7(10(12)13)5-9(8)14-2/h3-5H,1-2H3
InChIKey
DIKOVRNHZKVROR-UHFFFAOYSA-N
Compound name
(2-methoxy-4-nitrophenyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

211.04807 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.055346 140.8
[M+Na]+ 234.037288 148.7
[M-H]- 210.040794 145.1
[M+NH4]+ 229.081893 158.9
[M+K]+ 250.011228 144.5
[M+H-H2O]+ 194.045330 139.4
[M+HCOO]- 256.046271 166.4
[M+CH3COO]- 270.061921 180.1
[M+Na-2H]- 232.022736 147.5
[M]+ 211.04752142 143.1
[M]- 211.04861858 143.1
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