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]+ 192.06552 136.8
[M+Na]+ 214.04746 147.2
[M-H]- 190.05096 142.8
[M+NH4]+ 209.09206 157.9
[M+K]+ 230.02140 146.2
[M+H-H2O]+ 174.05550 131.5
[M+HCOO]- 236.05644 162.5
[M+CH3COO]- 250.07209 183.5
[M+Na-2H]- 212.03291 143.9
[M]+ 191.05769 140.7
[M]- 191.05879 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.