CID 21946056

379227-03-9

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=C(C=CC=N1)OC
InChI
InChI=1S/C8H9NO2/c1-6(10)8-7(11-2)4-3-5-9-8/h3-5H,1-2H3
InChIKey
IGYMEVBVNSGNSD-UHFFFAOYSA-N
Compound name
1-(3-methoxypyridin-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

151.06332 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.2
[M+Na]+ 174.05254 137.1
[M-H]- 150.05604 131.0
[M+NH4]+ 169.09714 148.3
[M+K]+ 190.02648 136.3
[M+H-H2O]+ 134.06058 122.0
[M+HCOO]- 196.06152 151.6
[M+CH3COO]- 210.07717 176.0
[M+Na-2H]- 172.03799 135.2
[M]+ 151.06277 130.3
[M]- 151.06387 130.3
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