CID 3710308

1052543-02-8

Structural Information

Molecular Formula
C11H15NO2
SMILES
CCNCC1=CC2=C(C=C1)OCCO2
InChI
InChI=1S/C11H15NO2/c1-2-12-8-9-3-4-10-11(7-9)14-6-5-13-10/h3-4,7,12H,2,5-6,8H2,1H3
InChIKey
BJWLBBRWMXCZLV-UHFFFAOYSA-N
Compound name
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.11028 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.11756 141.8
[M+Na]+ 216.09950 154.5
[M+NH4]+ 211.14410 151.1
[M+K]+ 232.07344 148.0
[M-H]- 192.10300 148.0
[M+Na-2H]- 214.08495 147.4
[M]+ 193.10973 145.4
[M]- 193.11083 145.4
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