CID 21843623

2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethan-1-amine

Structural Information

Molecular Formula
C10H13NO2
SMILES
C1COC2=C(C=CC=C2O1)CCN
InChI
InChI=1S/C10H13NO2/c11-5-4-8-2-1-3-9-10(8)13-7-6-12-9/h1-3H,4-7,11H2
InChIKey
NQAKBMINJHHNDM-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

179.09464 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.10192 137.2
[M+Na]+ 202.08386 143.8
[M-H]- 178.08736 142.1
[M+NH4]+ 197.12846 155.1
[M+K]+ 218.05780 143.8
[M+H-H2O]+ 162.09190 130.9
[M+HCOO]- 224.09284 157.4
[M+CH3COO]- 238.10849 182.0
[M+Na-2H]- 200.06931 146.4
[M]+ 179.09409 136.2
[M]- 179.09519 136.2
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