CID 104564147

1917134-67-8

Structural Information

Molecular Formula
C13H21NO5
SMILES
COCCOCCOCCOC1=CC=CC(=N1)CO
InChI
InChI=1S/C13H21NO5/c1-16-5-6-17-7-8-18-9-10-19-13-4-2-3-12(11-15)14-13/h2-4,15H,5-11H2,1H3
InChIKey
RSXRQOACEZXQPN-UHFFFAOYSA-N
Compound name
[6-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-pyridinyl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

271.14197 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.149246 161.2
[M+Na]+ 294.131188 166.8
[M-H]- 270.134694 161.2
[M+NH4]+ 289.175793 175.4
[M+K]+ 310.105128 165.7
[M+H-H2O]+ 254.139230 153.0
[M+HCOO]- 316.140171 182.6
[M+CH3COO]- 330.155821 194.6
[M+Na-2H]- 292.116636 166.2
[M]+ 271.14142142 168.7
[M]- 271.14251858 168.7
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