CID 3060596

78219-05-3

Structural Information

Molecular Formula
C11H13NO4
SMILES
COC1=C(C2=C(C=C1)C(OC2=O)CN)OC
InChI
InChI=1S/C11H13NO4/c1-14-7-4-3-6-8(5-12)16-11(13)9(6)10(7)15-2/h3-4,8H,5,12H2,1-2H3
InChIKey
JIRTYXPBFWHBDA-UHFFFAOYSA-N
Compound name
3-(aminomethyl)-6,7-dimethoxy-3H-2-benzofuran-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

223.08446 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.091736 145.4
[M+Na]+ 246.073678 155.1
[M-H]- 222.077184 151.0
[M+NH4]+ 241.118283 165.4
[M+K]+ 262.047618 154.4
[M+H-H2O]+ 206.081720 140.1
[M+HCOO]- 268.082661 168.9
[M+CH3COO]- 282.098311 191.6
[M+Na-2H]- 244.059126 150.1
[M]+ 223.08391142 149.7
[M]- 223.08500858 149.7
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

patents stripe