CID 47540

2-(2-(diethylamino)ethyl)-2-methyl-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCN(CC)CCC1(OC2=CC=CC=C2O1)C
InChI
InChI=1S/C14H21NO2/c1-4-15(5-2)11-10-14(3)16-12-8-6-7-9-13(12)17-14/h6-9H,4-5,10-11H2,1-3H3
InChIKey
JXDNPICOJLZPOC-UHFFFAOYSA-N
Compound name
N,N-diethyl-2-(2-methyl-1,3-benzodioxol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.5
[M+Na]+ 258.14645 162.4
[M-H]- 234.14995 162.3
[M+NH4]+ 253.19105 176.1
[M+K]+ 274.12039 163.2
[M+H-H2O]+ 218.15449 149.9
[M+HCOO]- 280.15543 177.7
[M+CH3COO]- 294.17108 197.2
[M+Na-2H]- 256.13190 162.4
[M]+ 235.15668 160.5
[M]- 235.15778 160.5
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

No patent data available for this compound.