CID 89244

2-(4-nitrophenyl)propanoic acid

Structural Information

Molecular Formula
C9H9NO4
SMILES
CC(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C9H9NO4/c1-6(9(11)12)7-2-4-8(5-3-7)10(13)14/h2-6H,1H3,(H,11,12)
InChIKey
RBSRRICSXWXMRC-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

726
Patents

195.05316 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.1
[M+Na]+ 218.04238 149.9
[M+NH4]+ 213.08698 145.1
[M+K]+ 234.01632 148.5
[M-H]- 194.04588 139.8
[M+Na-2H]- 216.02783 143.1
[M]+ 195.05261 139.9
[M]- 195.05371 139.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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