CID 5067289

2-(acetoxymethyl)-4-methoxy-3,5-dimethylpyridine

Structural Information

Molecular Formula
C11H15NO3
SMILES
CC1=CN=C(C(=C1OC)C)COC(=O)C
InChI
InChI=1S/C11H15NO3/c1-7-5-12-10(6-15-9(3)13)8(2)11(7)14-4/h5H,6H2,1-4H3
InChIKey
OKIMSBLHXKXTTE-UHFFFAOYSA-N
Compound name
(4-methoxy-3,5-dimethylpyridin-2-yl)methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

209.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.11248 144.1
[M+Na]+ 232.09442 153.5
[M-H]- 208.09792 147.1
[M+NH4]+ 227.13902 162.5
[M+K]+ 248.06836 152.6
[M+H-H2O]+ 192.10246 137.7
[M+HCOO]- 254.10340 166.7
[M+CH3COO]- 268.11905 188.9
[M+Na-2H]- 230.07987 148.1
[M]+ 209.10465 149.5
[M]- 209.10575 149.5
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