CID 5467940

2-furanacrylic acid, alpha-cyano-, methyl ester

Structural Information

Molecular Formula
C9H7NO3
SMILES
COC(=O)/C(=C/C1=CC=CO1)/C#N
InChI
InChI=1S/C9H7NO3/c1-12-9(11)7(6-10)5-8-3-2-4-13-8/h2-5H,1H3/b7-5+
InChIKey
KRGNLCAXPGOHQH-FNORWQNLSA-N
Compound name
methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

177.04259 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.049866 138.2
[M+Na]+ 200.031808 147.9
[M-H]- 176.035314 141.8
[M+NH4]+ 195.076413 156.4
[M+K]+ 216.005748 146.8
[M+H-H2O]+ 160.039850 125.7
[M+HCOO]- 222.040791 158.0
[M+CH3COO]- 236.056441 189.9
[M+Na-2H]- 198.017256 142.3
[M]+ 177.04204142 135.5
[M]- 177.04313858 135.5
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