CID 2758852

71002-71-6

Structural Information

Molecular Formula
C10H11NO4
SMILES
CCC1=CC(=C(C(=C1)[N+](=O)[O-])O)C(=O)C
InChI
InChI=1S/C10H11NO4/c1-3-7-4-8(6(2)12)10(13)9(5-7)11(14)15/h4-5,13H,3H2,1-2H3
InChIKey
HRSNNEAZJXNKEX-UHFFFAOYSA-N
Compound name
1-(5-ethyl-2-hydroxy-3-nitrophenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

209.0688 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 141.7
[M+Na]+ 232.05802 149.8
[M-H]- 208.06152 144.8
[M+NH4]+ 227.10262 159.6
[M+K]+ 248.03196 144.0
[M+H-H2O]+ 192.06606 141.0
[M+HCOO]- 254.06700 165.3
[M+CH3COO]- 268.08265 180.1
[M+Na-2H]- 230.04347 146.7
[M]+ 209.06825 141.7
[M]- 209.06935 141.7
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