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 167.7
[M+Na]+ 316.15194 172.6
[M-H]- 292.15544 174.4
[M+NH4]+ 311.19654 181.9
[M+K]+ 332.12588 173.7
[M+H-H2O]+ 276.15998 160.1
[M+HCOO]- 338.16092 182.8
[M+CH3COO]- 352.17657 178.4
[M+Na-2H]- 314.13739 173.3
[M]+ 293.16217 169.9
[M]- 293.16327 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