CID 17605165

2-(4-nitrophenoxy)butanoic acid

Structural Information

Molecular Formula
C10H11NO5
SMILES
CCC(C(=O)O)OC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C10H11NO5/c1-2-9(10(12)13)16-8-5-3-7(4-6-8)11(14)15/h3-6,9H,2H2,1H3,(H,12,13)
InChIKey
YPBRRZJQNAFLIJ-UHFFFAOYSA-N
Compound name
2-(4-nitrophenoxy)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

225.06372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.07100 145.5
[M+Na]+ 248.05294 156.5
[M+NH4]+ 243.09754 151.7
[M+K]+ 264.02688 155.4
[M-H]- 224.05644 146.6
[M+Na-2H]- 246.03839 149.7
[M]+ 225.06317 146.9
[M]- 225.06427 146.9
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