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

201
Patents

125.047676 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.05495 122.4
[M+Na]+ 148.03689 131.0
[M-H]- 124.04040 126.8
[M+NH4]+ 143.08150 144.6
[M+K]+ 164.01083 131.4
[M+H-H2O]+ 108.04494 117.4
[M+HCOO]- 170.04588 147.7
[M+CH3COO]- 184.06153 171.5
[M+Na-2H]- 146.02234 128.2
[M]+ 125.04713 122.6
[M]- 125.04822 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