CID 3747027

2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine hydrochloride

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1COC2=C(O1)C=CC(=C2)CCN
InChI
InChI=1S/C10H13NO2/c11-4-3-8-1-2-9-10(7-8)13-6-5-12-9/h1-2,7H,3-6,11H2
InChIKey
MJSYUXKKXKFWNX-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

157
Patents

179.09464 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.4
[M+Na]+ 202.08386 150.0
[M+NH4]+ 197.12846 146.7
[M+K]+ 218.05780 144.0
[M-H]- 178.08736 143.4
[M+Na-2H]- 200.06931 142.8
[M]+ 179.09409 140.9
[M]- 179.09519 140.9
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