CID 13010388

Methyl 5-cyano-2-methylfuran-3-carboxylate

Structural Information

Molecular Formula
C8H7NO3
SMILES
CC1=C(C=C(O1)C#N)C(=O)OC
InChI
InChI=1S/C8H7NO3/c1-5-7(8(10)11-2)3-6(4-9)12-5/h3H,1-2H3
InChIKey
BOGZKGKOHUYATM-UHFFFAOYSA-N
Compound name
methyl 5-cyano-2-methylfuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

165.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.049866 130.7
[M+Na]+ 188.031808 142.2
[M-H]- 164.035314 135.1
[M+NH4]+ 183.076413 150.0
[M+K]+ 204.005748 141.8
[M+H-H2O]+ 148.039850 118.9
[M+HCOO]- 210.040791 151.6
[M+CH3COO]- 224.056441 189.9
[M+Na-2H]- 186.017256 135.5
[M]+ 165.04204142 129.7
[M]- 165.04313858 129.7
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