CID 40354

2-methyl-2-(2-morpholinoethyl)-1,3-benzodioxole hydrochloride

Structural Information

Molecular Formula
C14H19NO3
SMILES
CC1(OC2=CC=CC=C2O1)CCN3CCOCC3
InChI
InChI=1S/C14H19NO3/c1-14(6-7-15-8-10-16-11-9-15)17-12-4-2-3-5-13(12)18-14/h2-5H,6-11H2,1H3
InChIKey
WLEYZJKXJSXJOB-UHFFFAOYSA-N
Compound name
4-[2-(2-methyl-1,3-benzodioxol-2-yl)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.13649 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.14377 155.8
[M+Na]+ 272.12571 161.9
[M-H]- 248.12921 162.9
[M+NH4]+ 267.17031 172.0
[M+K]+ 288.09965 162.7
[M+H-H2O]+ 232.13375 148.8
[M+HCOO]- 294.13469 171.4
[M+CH3COO]- 308.15034 167.6
[M+Na-2H]- 270.11116 162.4
[M]+ 249.13594 156.0
[M]- 249.13704 156.0
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