CID 3016550

Ethyl 2-(4-nitrophenyl)propanoate

Structural Information

Molecular Formula
C11H13NO4
SMILES
CCOC(=O)C(C)C1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C11H13NO4/c1-3-16-11(13)8(2)9-4-6-10(7-5-9)12(14)15/h4-8H,3H2,1-2H3
InChIKey
GMOOHUQPPFJAQB-UHFFFAOYSA-N
Compound name
ethyl 2-(4-nitrophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

138
Patents

223.08446 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 148.0
[M+Na]+ 246.073678 154.1
[M-H]- 222.077184 151.7
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 149.4
[M+H-H2O]+ 206.081720 146.4
[M+HCOO]- 268.082661 171.8
[M+CH3COO]- 282.098311 183.7
[M+Na-2H]- 244.059126 152.9
[M]+ 223.08391142 148.7
[M]- 223.08500858 148.7
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