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]+ 206.08118 141.7
[M+Na]+ 228.06312 151.6
[M-H]- 204.06662 147.4
[M+NH4]+ 223.10772 162.2
[M+K]+ 244.03706 150.4
[M+H-H2O]+ 188.07116 136.1
[M+HCOO]- 250.07210 167.0
[M+CH3COO]- 264.08775 186.5
[M+Na-2H]- 226.04857 148.1
[M]+ 205.07335 145.9
[M]- 205.07445 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.