CID 19760371

1-(6-methoxypyridin-3-yl)propan-2-one

Structural Information

Molecular Formula
C9H11NO2
SMILES
CC(=O)CC1=CN=C(C=C1)OC
InChI
InChI=1S/C9H11NO2/c1-7(11)5-8-3-4-9(12-2)10-6-8/h3-4,6H,5H2,1-2H3
InChIKey
ZTVKQIOWHQKSOC-UHFFFAOYSA-N
Compound name
1-(6-methoxy-3-pyridinyl)propan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

165.07898 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.086256 133.0
[M+Na]+ 188.068198 141.3
[M-H]- 164.071704 135.5
[M+NH4]+ 183.112803 152.4
[M+K]+ 204.042138 140.3
[M+H-H2O]+ 148.076240 126.5
[M+HCOO]- 210.077181 156.0
[M+CH3COO]- 224.092831 179.1
[M+Na-2H]- 186.053646 139.4
[M]+ 165.07843142 135.4
[M]- 165.07952858 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

literature stripe

Patent stripe

patents stripe