CID 41830

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

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC1(OC2=CC=CC=C2O1)CCOCCN3CCOCC3
InChI
InChI=1S/C16H23NO4/c1-16(20-14-4-2-3-5-15(14)21-16)6-10-18-11-7-17-8-12-19-13-9-17/h2-5H,6-13H2,1H3
InChIKey
TUVHFEQLXLIQQF-UHFFFAOYSA-N
Compound name
4-[2-[2-(2-methyl-1,3-benzodioxol-2-yl)ethoxy]ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

293.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 167.7
[M+Na]+ 316.151938 172.6
[M-H]- 292.155444 174.4
[M+NH4]+ 311.196543 181.9
[M+K]+ 332.125878 173.7
[M+H-H2O]+ 276.159980 160.1
[M+HCOO]- 338.160921 182.8
[M+CH3COO]- 352.176571 178.4
[M+Na-2H]- 314.137386 173.3
[M]+ 293.16217142 169.9
[M]- 293.16326858 169.9
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