CID 264610

5-(3-nitrophenyl)-5-oxopentanoic acid

Structural Information

Molecular Formula
C11H11NO5
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)CCCC(=O)O
InChI
InChI=1S/C11H11NO5/c13-10(5-2-6-11(14)15)8-3-1-4-9(7-8)12(16)17/h1,3-4,7H,2,5-6H2,(H,14,15)
InChIKey
DZGXYWGULNCBPR-UHFFFAOYSA-N
Compound name
5-(3-nitrophenyl)-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

237.06372 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.07100 149.1
[M+Na]+ 260.05294 160.0
[M+NH4]+ 255.09754 154.9
[M+K]+ 276.02688 158.6
[M-H]- 236.05644 149.9
[M+Na-2H]- 258.03839 153.0
[M]+ 237.06317 150.4
[M]- 237.06427 150.4
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