CID 229366

2,5-bis-(morpholinomethyl)-hydroquinone

Structural Information

Molecular Formula
C16H24N2O4
SMILES
C1COCCN1CC2=CC(=C(C=C2O)CN3CCOCC3)O
InChI
InChI=1S/C16H24N2O4/c19-15-10-14(12-18-3-7-22-8-4-18)16(20)9-13(15)11-17-1-5-21-6-2-17/h9-10,19-20H,1-8,11-12H2
InChIKey
DGGCIZWVIVXHFR-UHFFFAOYSA-N
Compound name
2,5-bis(morpholin-4-ylmethyl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

130
Patents

308.1736 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.18088 175.4
[M+Na]+ 331.16282 178.1
[M-H]- 307.16632 179.4
[M+NH4]+ 326.20742 182.5
[M+K]+ 347.13676 176.3
[M+H-H2O]+ 291.17086 165.0
[M+HCOO]- 353.17180 184.9
[M+CH3COO]- 367.18745 183.0
[M+Na-2H]- 329.14827 176.8
[M]+ 308.17305 169.4
[M]- 308.17415 169.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe