CID 112583770

1-(5-methoxypyridin-2-yl)propan-1-one

Structural Information

Molecular Formula
C9H11NO2
SMILES
CCC(=O)C1=NC=C(C=C1)OC
InChI
InChI=1S/C9H11NO2/c1-3-9(11)8-5-4-7(12-2)6-10-8/h4-6H,3H2,1-2H3
InChIKey
JRLHWZAIPCZJKU-UHFFFAOYSA-N
Compound name
1-(5-methoxypyridin-2-yl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

165.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.08626 133.0
[M+Na]+ 188.06820 141.3
[M-H]- 164.07170 135.5
[M+NH4]+ 183.11280 152.4
[M+K]+ 204.04214 140.3
[M+H-H2O]+ 148.07624 126.5
[M+HCOO]- 210.07718 156.0
[M+CH3COO]- 224.09283 179.1
[M+Na-2H]- 186.05365 139.4
[M]+ 165.07843 135.4
[M]- 165.07953 135.4
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