CID 47540

65210-31-3

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]+ 236.164506 155.5
[M+Na]+ 258.146448 162.4
[M-H]- 234.149954 162.3
[M+NH4]+ 253.191053 176.1
[M+K]+ 274.120388 163.2
[M+H-H2O]+ 218.154490 149.9
[M+HCOO]- 280.155431 177.7
[M+CH3COO]- 294.171081 197.2
[M+Na-2H]- 256.131896 162.4
[M]+ 235.15668142 160.5
[M]- 235.15777858 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.