CID 3146111

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

Structural Information

Molecular Formula
C10H13NO2
SMILES
CC(C1=CC2=C(C=C1)OCCO2)N
InChI
InChI=1S/C10H13NO2/c1-7(11)8-2-3-9-10(6-8)13-5-4-12-9/h2-3,6-7H,4-5,11H2,1H3
InChIKey
ABUSRLBOAUOYSM-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

71
Patents

179.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.8
[M+Na]+ 202.08386 150.0
[M+NH4]+ 197.12846 147.0
[M+K]+ 218.05780 144.7
[M-H]- 178.08736 143.6
[M+Na-2H]- 200.06931 142.8
[M]+ 179.09409 141.1
[M]- 179.09519 141.1
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