CID 84771736

1167411-36-0

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C1=CC2=C(O1)C=C(C=C2)N
InChI
InChI=1S/C10H9NO3/c1-13-10(12)9-4-6-2-3-7(11)5-8(6)14-9/h2-5H,11H2,1H3
InChIKey
MCCUJAKTECJZDW-UHFFFAOYSA-N
Compound name
methyl 6-amino-1-benzofuran-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.8
[M+Na]+ 214.047458 147.2
[M-H]- 190.050964 142.8
[M+NH4]+ 209.092063 157.9
[M+K]+ 230.021398 146.2
[M+H-H2O]+ 174.055500 131.5
[M+HCOO]- 236.056441 162.5
[M+CH3COO]- 250.072091 183.5
[M+Na-2H]- 212.032906 143.9
[M]+ 191.05769142 140.7
[M]- 191.05878858 140.7
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.