CID 3060592

78219-03-1

Structural Information

Molecular Formula
C9H9NO4
SMILES
C1=C2C(OC(=O)C2=CC(=C1O)O)CN
InChI
InChI=1S/C9H9NO4/c10-3-8-4-1-6(11)7(12)2-5(4)9(13)14-8/h1-2,8,11-12H,3,10H2
InChIKey
ZXUQMHPTGVFUHP-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-5,6-dihydroxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06044 138.0
[M+Na]+ 218.04238 148.3
[M+NH4]+ 213.08698 145.1
[M+K]+ 234.01632 146.6
[M-H]- 194.04588 139.7
[M+Na-2H]- 216.02783 140.1
[M]+ 195.05261 139.6
[M]- 195.05371 139.6
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.