CID 3062811

99060-77-2

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(C1C2=C(C(=C(C=C2)O)O)C(=O)O1)N
InChI
InChI=1S/C10H11NO4/c1-4(11)9-5-2-3-6(12)8(13)7(5)10(14)15-9/h2-4,9,12-13H,11H2,1H3
InChIKey
ICRQVVVOYUHAFF-UHFFFAOYSA-N
Compound name
3-(1-aminoethyl)-6,7-dihydroxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.8
[M+Na]+ 232.05802 152.5
[M+NH4]+ 227.10262 149.6
[M+K]+ 248.03196 151.4
[M-H]- 208.06152 144.2
[M+Na-2H]- 230.04347 144.3
[M]+ 209.06825 144.2
[M]- 209.06935 144.2
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.