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

8
Patents

165.04259 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.04987 131.7
[M+Na]+ 188.03181 142.5
[M+NH4]+ 183.07641 135.7
[M+K]+ 204.00575 137.0
[M-H]- 164.03531 126.0
[M+Na-2H]- 186.01726 133.6
[M]+ 165.04204 130.6
[M]- 165.04314 130.6
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

patents stripe