CID 5166334

5-methylfuran-2-carboxamide

Structural Information

Molecular Formula
C6H7NO2
SMILES
CC1=CC=C(O1)C(=O)N
InChI
InChI=1S/C6H7NO2/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKey
HTLIXYXARPLOIU-UHFFFAOYSA-N
Compound name
5-methylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

211
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.054952 122.4
[M+Na]+ 148.036894 131.0
[M-H]- 124.040400 126.8
[M+NH4]+ 143.081499 144.6
[M+K]+ 164.010834 131.4
[M+H-H2O]+ 108.044936 117.4
[M+HCOO]- 170.045877 147.7
[M+CH3COO]- 184.061527 171.5
[M+Na-2H]- 146.022342 128.2
[M]+ 125.04712742 122.6
[M]- 125.04822458 122.6
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