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]+ 191.081506 138.2
[M+Na]+ 213.063448 147.7
[M-H]- 189.066954 143.5
[M+NH4]+ 208.108053 158.6
[M+K]+ 229.037388 145.7
[M+H-H2O]+ 173.071490 132.4
[M+HCOO]- 235.072431 164.0
[M+CH3COO]- 249.088081 186.5
[M+Na-2H]- 211.048896 144.5
[M]+ 190.07368142 139.0
[M]- 190.07477858 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.