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]+ 210.076076 141.2
[M+Na]+ 232.058018 150.5
[M-H]- 208.061524 144.6
[M+NH4]+ 227.102623 160.6
[M+K]+ 248.031958 148.5
[M+H-H2O]+ 192.066060 136.5
[M+HCOO]- 254.067001 162.6
[M+CH3COO]- 268.082651 184.4
[M+Na-2H]- 230.043466 146.5
[M]+ 209.06825142 142.4
[M]- 209.06934858 142.4
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.