CID 145712248

1-(6-methoxy-5-methylpyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC1=CC(=CN=C1OC)C(=O)C
InChI
InChI=1S/C9H11NO2/c1-6-4-8(7(2)11)5-10-9(6)12-3/h4-5H,1-3H3
InChIKey
NKQIWPSBVKYIKM-UHFFFAOYSA-N
Compound name
1-(6-methoxy-5-methylpyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

165.07898 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 132.1
[M+Na]+ 188.06820 141.5
[M-H]- 164.07170 135.1
[M+NH4]+ 183.11280 152.0
[M+K]+ 204.04214 140.5
[M+H-H2O]+ 148.07624 126.0
[M+HCOO]- 210.07718 155.2
[M+CH3COO]- 224.09283 180.2
[M+Na-2H]- 186.05365 138.0
[M]+ 165.07843 135.0
[M]- 165.07953 135.0
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

No patent data available for this compound.