CID 433021

Ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H13NO3
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2O1)CN
InChI
InChI=1S/C12H13NO3/c1-2-15-12(14)11-9(7-13)8-5-3-4-6-10(8)16-11/h3-6H,2,7,13H2,1H3
InChIKey
SWZMVJIGYDOJCN-UHFFFAOYSA-N
Compound name
ethyl 3-(aminomethyl)-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 146.5
[M+Na]+ 242.07876 156.0
[M-H]- 218.08226 152.1
[M+NH4]+ 237.12336 166.4
[M+K]+ 258.05270 154.6
[M+H-H2O]+ 202.08680 140.7
[M+HCOO]- 264.08774 171.5
[M+CH3COO]- 278.10339 189.5
[M+Na-2H]- 240.06421 152.4
[M]+ 219.08899 151.1
[M]- 219.09009 151.1
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.