CID 458615

3,5-bis(4-morpholinylmethyl)pyrocatechol

Structural Information

Molecular Formula
C16H24N2O4
SMILES
C1COCCN1CC2=CC(=C(C(=C2)O)O)CN3CCOCC3
InChI
InChI=1S/C16H24N2O4/c19-15-10-13(11-17-1-5-21-6-2-17)9-14(16(15)20)12-18-3-7-22-8-4-18/h9-10,19-20H,1-8,11-12H2
InChIKey
JSKHZIXTKOGMHB-UHFFFAOYSA-N
Compound name
3,5-bis(morpholin-4-ylmethyl)benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.