CID 4559414

66806-31-3

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

54
Patents

139.06332 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.070596 126.6
[M+Na]+ 162.052538 135.8
[M-H]- 138.056044 131.3
[M+NH4]+ 157.097143 148.6
[M+K]+ 178.026478 135.8
[M+H-H2O]+ 122.060580 121.8
[M+HCOO]- 184.061521 151.6
[M+CH3COO]- 198.077171 175.7
[M+Na-2H]- 160.037986 131.2
[M]+ 139.06277142 127.6
[M]- 139.06386858 127.6
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