CID 84778254

Methyl 2-(aminomethyl)-1-benzofuran-6-carboxylate hydrochloride

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC(=O)C1=CC2=C(C=C1)C=C(O2)CN
InChI
InChI=1S/C11H11NO3/c1-14-11(13)8-3-2-7-4-9(6-12)15-10(7)5-8/h2-5H,6,12H2,1H3
InChIKey
KIPNWINMOBHVGH-UHFFFAOYSA-N
Compound name
methyl 2-(aminomethyl)-1-benzofuran-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.081176 141.7
[M+Na]+ 228.063118 151.6
[M-H]- 204.066624 147.4
[M+NH4]+ 223.107723 162.2
[M+K]+ 244.037058 150.4
[M+H-H2O]+ 188.071160 136.1
[M+HCOO]- 250.072101 167.0
[M+CH3COO]- 264.087751 186.5
[M+Na-2H]- 226.048566 148.1
[M]+ 205.07335142 145.9
[M]- 205.07444858 145.9
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.