CID 61553005

2-methoxy-1-(pyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C8H9NO2
SMILES
COCC(=O)C1=CN=CC=C1
InChI
InChI=1S/C8H9NO2/c1-11-6-8(10)7-3-2-4-9-5-7/h2-5H,6H2,1H3
InChIKey
JLFQZGQFRIBTCR-UHFFFAOYSA-N
Compound name
2-methoxy-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

151.06332 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.07060 128.9
[M+Na]+ 174.05254 136.8
[M-H]- 150.05604 131.3
[M+NH4]+ 169.09714 148.6
[M+K]+ 190.02648 136.0
[M+H-H2O]+ 134.06058 122.4
[M+HCOO]- 196.06152 152.3
[M+CH3COO]- 210.07717 174.9
[M+Na-2H]- 172.03799 136.6
[M]+ 151.06277 130.6
[M]- 151.06387 130.6
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