CID 82603727

2742652-20-4

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC2=C(C=C1C(=O)O)OC(=C2)CN
InChI
InChI=1S/C10H9NO3/c11-5-8-3-6-1-2-7(10(12)13)4-9(6)14-8/h1-4H,5,11H2,(H,12,13)
InChIKey
DEUYNEOIMDANRN-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1-benzofuran-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

191.05824 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 137.0
[M+Na]+ 214.04746 146.9
[M-H]- 190.05096 141.5
[M+NH4]+ 209.09206 157.3
[M+K]+ 230.02140 145.0
[M+H-H2O]+ 174.05550 131.9
[M+HCOO]- 236.05644 161.2
[M+CH3COO]- 250.07209 181.7
[M+Na-2H]- 212.03291 143.6
[M]+ 191.05769 139.1
[M]- 191.05879 139.1
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

No patent data available for this compound.