CID 1715166

73403-29-9

Structural Information

Molecular Formula
C8H5NO3
SMILES
C1=COC(=C1)/C=C(\C#N)/C(=O)O
InChI
InChI=1S/C8H5NO3/c9-5-6(8(10)11)4-7-2-1-3-12-7/h1-4H,(H,10,11)/b6-4+
InChIKey
ZQEYJNCEFQYAPJ-GQCTYLIASA-N
Compound name
(E)-2-cyano-3-(furan-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

163.02695 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.034226 135.5
[M+Na]+ 186.016168 145.0
[M-H]- 162.019674 137.9
[M+NH4]+ 181.060773 153.4
[M+K]+ 201.990108 143.4
[M+H-H2O]+ 146.024210 123.3
[M+HCOO]- 208.025151 154.1
[M+CH3COO]- 222.040801 185.4
[M+Na-2H]- 184.001616 139.4
[M]+ 163.02640142 130.7
[M]- 163.02749858 130.7
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