CID 2800224

26372-53-2

Structural Information

Molecular Formula
C9H10N2O3
SMILES
CC(=O)NC1=C(C=CC=N1)OC(=O)C
InChI
InChI=1S/C9H10N2O3/c1-6(12)11-9-8(14-7(2)13)4-3-5-10-9/h3-5H,1-2H3,(H,10,11,12)
InChIKey
IDZIZSUOFZCQBI-UHFFFAOYSA-N
Compound name
(2-acetamido-3-pyridinyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

15
Patents

194.06914 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.7
[M+Na]+ 217.058358 147.3
[M-H]- 193.061864 142.4
[M+NH4]+ 212.102963 157.6
[M+K]+ 233.032298 146.6
[M+H-H2O]+ 177.066400 132.8
[M+HCOO]- 239.067341 163.2
[M+CH3COO]- 253.082991 184.7
[M+Na-2H]- 215.043806 145.2
[M]+ 194.06859142 141.3
[M]- 194.06968858 141.3
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