CID 235328

33070-04-1

Structural Information

Molecular Formula
C9H9NO3
SMILES
C1C(OC2=CC=CC=C2O1)C(=O)N
InChI
InChI=1S/C9H9NO3/c10-9(11)8-5-12-6-3-1-2-4-7(6)13-8/h1-4,8H,5H2,(H2,10,11)
InChIKey
LIQWNOWUUZXEPC-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

193
Patents

179.05824 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.06552 134.9
[M+Na]+ 202.04746 141.9
[M-H]- 178.05096 140.1
[M+NH4]+ 197.09206 152.6
[M+K]+ 218.02140 142.5
[M+H-H2O]+ 162.05550 128.8
[M+HCOO]- 224.05644 154.9
[M+CH3COO]- 238.07209 181.3
[M+Na-2H]- 200.03291 143.5
[M]+ 179.05769 133.7
[M]- 179.05879 133.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe