CID 89148

22013-33-8

Structural Information

Molecular Formula
C8H9NO2
SMILES
C1COC2=C(O1)C=CC(=C2)N
InChI
InChI=1S/C8H9NO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4,9H2
InChIKey
BZKOZYWGZKRTIB-UHFFFAOYSA-N
Compound name
2,3-dihydro-1,4-benzodioxin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2149
Patents

151.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 127.6
[M+Na]+ 174.05254 135.2
[M-H]- 150.05604 133.0
[M+NH4]+ 169.09714 146.7
[M+K]+ 190.02648 135.6
[M+H-H2O]+ 134.06058 121.8
[M+HCOO]- 196.06152 148.6
[M+CH3COO]- 210.07717 141.6
[M+Na-2H]- 172.03799 138.0
[M]+ 151.06277 125.9
[M]- 151.06387 125.9
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