CID 3060606

3-methylaminomethyl-6,7-dihydroxyphthalide hydrobromide

Structural Information

Molecular Formula
C10H11NO4
SMILES
CNCC1C2=C(C(=C(C=C2)O)O)C(=O)O1
InChI
InChI=1S/C10H11NO4/c1-11-4-7-5-2-3-6(12)9(13)8(5)10(14)15-7/h2-3,7,11-13H,4H2,1H3
InChIKey
FCJUENLOSWRXOY-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-3-(methylaminomethyl)-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.0688 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.07608 142.4
[M+Na]+ 232.05802 152.8
[M+NH4]+ 227.10262 149.5
[M+K]+ 248.03196 150.6
[M-H]- 208.06152 144.2
[M+Na-2H]- 230.04347 144.7
[M]+ 209.06825 144.0
[M]- 209.06935 144.0
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

No patent data available for this compound.