CID 3519923

103204-39-3

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCC(=O)C1=CC(=C(C=C1)OC)[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c1-3-9(12)7-4-5-10(15-2)8(6-7)11(13)14/h4-6H,3H2,1-2H3
InChIKey
OCUKFCRZNSCAQO-UHFFFAOYSA-N
Compound name
1-(4-methoxy-3-nitrophenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.5
[M+Na]+ 232.05802 150.1
[M-H]- 208.06152 146.7
[M+NH4]+ 227.10262 160.8
[M+K]+ 248.03196 145.2
[M+H-H2O]+ 192.06606 141.2
[M+HCOO]- 254.06700 167.6
[M+CH3COO]- 268.08265 181.8
[M+Na-2H]- 230.04347 148.6
[M]+ 209.06825 144.0
[M]- 209.06935 144.0
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