CID 4559414

2,5-dimethylfuran-3-carboxamide

Structural Information

Molecular Formula
C7H9NO2
SMILES
CC1=CC(=C(O1)C)C(=O)N
InChI
InChI=1S/C7H9NO2/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H2,8,9)
InChIKey
ZDQXLTJASRPRTA-UHFFFAOYSA-N
Compound name
2,5-dimethylfuran-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

139.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.07060 127.2
[M+Na]+ 162.05254 137.8
[M+NH4]+ 157.09714 135.1
[M+K]+ 178.02648 135.6
[M-H]- 138.05604 129.7
[M+Na-2H]- 160.03799 131.4
[M]+ 139.06277 129.1
[M]- 139.06387 129.1
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