CID 67516008

Methyl 6-amino-2,3-dihydro-1-benzofuran-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H11NO3
SMILES
COC(=O)C1COC2=C1C=CC(=C2)N
InChI
InChI=1S/C10H11NO3/c1-13-10(12)8-5-14-9-4-6(11)2-3-7(8)9/h2-4,8H,5,11H2,1H3
InChIKey
XNUIHFBPYCGVTH-UHFFFAOYSA-N
Compound name
methyl 6-amino-2,3-dihydro-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

193.0739 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.081176 139.2
[M+Na]+ 216.063118 147.5
[M-H]- 192.066624 144.3
[M+NH4]+ 211.107723 159.9
[M+K]+ 232.037058 146.8
[M+H-H2O]+ 176.071160 133.9
[M+HCOO]- 238.072101 161.9
[M+CH3COO]- 252.087751 184.1
[M+Na-2H]- 214.048566 144.3
[M]+ 193.07335142 140.1
[M]- 193.07444858 140.1
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

patents stripe