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

1
Patents

235.12085 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.5
[M+Na]+ 258.11007 166.9
[M+NH4]+ 253.15467 162.4
[M+K]+ 274.08401 160.6
[M-H]- 234.11357 161.5
[M+Na-2H]- 256.09552 158.7
[M]+ 235.12030 157.7
[M]- 235.12140 157.7
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