CID 36737

2-(morpholinomethyl)-1,4-benzodioxan

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1COCCN1CC2COC3=CC=CC=C3O2
InChI
InChI=1S/C13H17NO3/c1-2-4-13-12(3-1)16-10-11(17-13)9-14-5-7-15-8-6-14/h1-4,11H,5-10H2
InChIKey
IFHNHXVGQVKTTI-UHFFFAOYSA-N
Compound name
4-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 152.1
[M+Na]+ 258.110068 156.6
[M-H]- 234.113574 158.7
[M+NH4]+ 253.154673 164.7
[M+K]+ 274.084008 157.6
[M+H-H2O]+ 218.118110 143.6
[M+HCOO]- 280.119051 165.9
[M+CH3COO]- 294.134701 163.1
[M+Na-2H]- 256.095516 159.9
[M]+ 235.12030142 149.4
[M]- 235.12139858 149.4
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