CID 79711

4-(4-nitrophenyl)butyric acid

Structural Information

Molecular Formula
C10H11NO4
SMILES
C1=CC(=CC=C1CCCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C10H11NO4/c12-10(13)3-1-2-8-4-6-9(7-5-8)11(14)15/h4-7H,1-3H2,(H,12,13)
InChIKey
WQMLUHZFRFCQDB-UHFFFAOYSA-N
Compound name
4-(4-nitrophenyl)butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

21
References

936
Patents

209.0688 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 143.4
[M+Na]+ 232.05802 149.6
[M-H]- 208.06152 145.7
[M+NH4]+ 227.10262 160.6
[M+K]+ 248.03196 143.7
[M+H-H2O]+ 192.06606 142.1
[M+HCOO]- 254.06700 167.0
[M+CH3COO]- 268.08265 177.8
[M+Na-2H]- 230.04347 149.6
[M]+ 209.06825 142.6
[M]- 209.06935 142.6
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