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

0
Patents

223.08446 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.09174 145.4
[M+Na]+ 246.07368 155.1
[M-H]- 222.07718 151.0
[M+NH4]+ 241.11828 165.4
[M+K]+ 262.04762 154.4
[M+H-H2O]+ 206.08172 140.1
[M+HCOO]- 268.08266 168.9
[M+CH3COO]- 282.09831 191.6
[M+Na-2H]- 244.05913 150.1
[M]+ 223.08391 149.7
[M]- 223.08501 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