CID 3710308

[(2,3-dihydro-1,4-benzodioxin-6-yl)methyl](ethyl)amine hydrochloride

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

5
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 141.3
[M+Na]+ 216.09950 147.5
[M-H]- 192.10300 146.6
[M+NH4]+ 211.14410 158.9
[M+K]+ 232.07344 147.6
[M+H-H2O]+ 176.10754 134.8
[M+HCOO]- 238.10848 161.8
[M+CH3COO]- 252.12413 185.6
[M+Na-2H]- 214.08495 151.0
[M]+ 193.10973 141.6
[M]- 193.11083 141.6
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