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]+ 164.03423 135.5
[M+Na]+ 186.01617 145.0
[M-H]- 162.01967 137.9
[M+NH4]+ 181.06077 153.4
[M+K]+ 201.99011 143.4
[M+H-H2O]+ 146.02421 123.3
[M+HCOO]- 208.02515 154.1
[M+CH3COO]- 222.04080 185.4
[M+Na-2H]- 184.00162 139.4
[M]+ 163.02640 130.7
[M]- 163.02750 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