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 154.7
[M+Na]+ 258.14645 165.9
[M+NH4]+ 253.19105 164.8
[M+K]+ 274.12039 159.6
[M-H]- 234.14995 160.1
[M+Na-2H]- 256.13190 160.2
[M]+ 235.15668 158.0
[M]- 235.15778 158.0
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.