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

2
Patents

293.16272 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 168.7
[M+Na]+ 316.15194 180.1
[M+NH4]+ 311.19654 177.8
[M+K]+ 332.12588 174.2
[M-H]- 292.15544 175.3
[M+Na-2H]- 314.13739 173.2
[M]+ 293.16217 172.3
[M]- 293.16327 172.3
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