CID 131444818

Dtxsid301036564

Structural Information

Molecular Formula
C10H9NO4
SMILES
CC=C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C10H9NO4/c1-2-9(10(12)13)7-3-5-8(6-4-7)11(14)15/h2-6H,1H3,(H,12,13)
InChIKey
DKIDVFLMXDKXAF-UHFFFAOYSA-N
Compound name
2-(4-nitrophenyl)but-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

207.05316 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.06044 142.0
[M+Na]+ 230.04238 153.6
[M+NH4]+ 225.08698 148.5
[M+K]+ 246.01632 151.8
[M-H]- 206.04588 143.4
[M+Na-2H]- 228.02783 146.6
[M]+ 207.05261 143.6
[M]- 207.05371 143.6
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

No patent data available for this compound.