CID 47003249

3-(aminomethyl)-1-benzofuran-2-carboxamide

Structural Information

Molecular Formula
C10H10N2O2
SMILES
C1=CC=C2C(=C1)C(=C(O2)C(=O)N)CN
InChI
InChI=1S/C10H10N2O2/c11-5-7-6-3-1-2-4-8(6)14-9(7)10(12)13/h1-4H,5,11H2,(H2,12,13)
InChIKey
XCLVOKQBAZMTIN-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.07423 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.2
[M+Na]+ 213.06345 147.7
[M-H]- 189.06695 143.5
[M+NH4]+ 208.10805 158.6
[M+K]+ 229.03739 145.7
[M+H-H2O]+ 173.07149 132.4
[M+HCOO]- 235.07243 164.0
[M+CH3COO]- 249.08808 186.5
[M+Na-2H]- 211.04890 144.5
[M]+ 190.07368 139.0
[M]- 190.07478 139.0
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

No patent data available for this compound.