CID 15084

Brn 1347482

Structural Information

Molecular Formula
C14H21NO2
SMILES
CCN(CC)CCC1COC2=CC=CC=C2O1
InChI
InChI=1S/C14H21NO2/c1-3-15(4-2)10-9-12-11-16-13-7-5-6-8-14(13)17-12/h5-8,12H,3-4,9-11H2,1-2H3
InChIKey
NFHDQVDHXKWZFG-UHFFFAOYSA-N
Compound name
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 156.3
[M+Na]+ 258.14645 161.3
[M-H]- 234.14995 162.4
[M+NH4]+ 253.19105 172.8
[M+K]+ 274.12039 162.0
[M+H-H2O]+ 218.15449 148.9
[M+HCOO]- 280.15543 176.2
[M+CH3COO]- 294.17108 198.1
[M+Na-2H]- 256.13190 163.4
[M]+ 235.15668 158.8
[M]- 235.15778 158.8
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.