CID 351535

3-(4-nitrophenoxy)propionic acid

Structural Information

Molecular Formula
C9H9NO5
SMILES
C1=CC(=CC=C1[N+](=O)[O-])OCCC(=O)O
InChI
InChI=1S/C9H9NO5/c11-9(12)5-6-15-8-3-1-7(2-4-8)10(13)14/h1-4H,5-6H2,(H,11,12)
InChIKey
RRQDYEMTBDVXQY-UHFFFAOYSA-N
Compound name
3-(4-nitrophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

62
Patents

211.04807 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.05535 141.3
[M+Na]+ 234.03729 152.9
[M+NH4]+ 229.08189 147.8
[M+K]+ 250.01123 151.2
[M-H]- 210.04079 142.7
[M+Na-2H]- 232.02274 146.2
[M]+ 211.04752 143.0
[M]- 211.04862 143.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe