CID 256400

2-(acetoxymethyl)-3-acetoxypyridine

Structural Information

Molecular Formula
C10H11NO4
SMILES
CC(=O)OCC1=C(C=CC=N1)OC(=O)C
InChI
InChI=1S/C10H11NO4/c1-7(12)14-6-9-10(15-8(2)13)4-3-5-11-9/h3-5H,6H2,1-2H3
InChIKey
NGPCOYKRSWHSRJ-UHFFFAOYSA-N
Compound name
(3-acetyloxy-2-pyridinyl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

209.0688 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.076076 142.5
[M+Na]+ 232.058018 150.5
[M-H]- 208.061524 145.1
[M+NH4]+ 227.102623 160.0
[M+K]+ 248.031958 150.1
[M+H-H2O]+ 192.066060 135.6
[M+HCOO]- 254.067001 164.8
[M+CH3COO]- 268.082651 184.9
[M+Na-2H]- 230.043466 147.2
[M]+ 209.06825142 146.7
[M]- 209.06934858 146.7
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