CID 4250984

4-(methylamino)phenyl 2-furoate

Structural Information

Molecular Formula
C12H11NO3
SMILES
CNC1=CC=C(C=C1)OC(=O)C2=CC=CO2
InChI
InChI=1S/C12H11NO3/c1-13-9-4-6-10(7-5-9)16-12(14)11-3-2-8-15-11/h2-8,13H,1H3
InChIKey
FTQZZDNELPUTCV-UHFFFAOYSA-N
Compound name
[4-(methylamino)phenyl] furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.0739 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.08118 145.7
[M+Na]+ 240.06312 153.1
[M-H]- 216.06662 153.5
[M+NH4]+ 235.10772 164.1
[M+K]+ 256.03706 152.3
[M+H-H2O]+ 200.07116 138.9
[M+HCOO]- 262.07210 171.5
[M+CH3COO]- 276.08775 187.4
[M+Na-2H]- 238.04857 151.7
[M]+ 217.07335 148.0
[M]- 217.07445 148.0
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