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 141.9
[M+Na]+ 230.04238 148.2
[M-H]- 206.04588 144.3
[M+NH4]+ 225.08698 159.0
[M+K]+ 246.01632 142.2
[M+H-H2O]+ 190.05042 140.8
[M+HCOO]- 252.05136 164.7
[M+CH3COO]- 266.06701 176.9
[M+Na-2H]- 228.02783 146.9
[M]+ 207.05261 139.6
[M]- 207.05371 139.6
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.