CID 11310484

Methyl 5-(4-aminophenyl)furan-2-carboxylate

Structural Information

Molecular Formula
C12H11NO3
SMILES
COC(=O)C1=CC=C(O1)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H11NO3/c1-15-12(14)11-7-6-10(16-11)8-2-4-9(13)5-3-8/h2-7H,13H2,1H3
InChIKey
JOIQXOMSFVFDQY-UHFFFAOYSA-N
Compound name
methyl 5-(4-aminophenyl)furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

217.0739 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 146.0
[M+Na]+ 240.06312 154.5
[M-H]- 216.06662 153.8
[M+NH4]+ 235.10772 164.6
[M+K]+ 256.03706 153.3
[M+H-H2O]+ 200.07116 139.6
[M+HCOO]- 262.07210 171.3
[M+CH3COO]- 276.08775 188.0
[M+Na-2H]- 238.04857 150.3
[M]+ 217.07335 147.8
[M]- 217.07445 147.8
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