CID 45090085

Methyl 5-cyanofuran-3-carboxylate

Structural Information

Molecular Formula
C7H5NO3
SMILES
COC(=O)C1=COC(=C1)C#N
InChI
InChI=1S/C7H5NO3/c1-10-7(9)5-2-6(3-8)11-4-5/h2,4H,1H3
InChIKey
DGJJLFSWAUMZOR-UHFFFAOYSA-N
Compound name
methyl 5-cyanofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

151.02695 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.03423 127.3
[M+Na]+ 174.01617 138.4
[M-H]- 150.01967 131.5
[M+NH4]+ 169.06077 146.8
[M+K]+ 189.99011 138.1
[M+H-H2O]+ 134.02421 115.4
[M+HCOO]- 196.02515 148.5
[M+CH3COO]- 210.04080 186.1
[M+Na-2H]- 172.00162 133.1
[M]+ 151.02640 125.6
[M]- 151.02750 125.6
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.