CID 145712248

2228776-93-8

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-methyl-3-pyridinyl)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]+ 166.086256 132.1
[M+Na]+ 188.068198 141.5
[M-H]- 164.071704 135.1
[M+NH4]+ 183.112803 152.0
[M+K]+ 204.042138 140.5
[M+H-H2O]+ 148.076240 126.0
[M+HCOO]- 210.077181 155.2
[M+CH3COO]- 224.092831 180.2
[M+Na-2H]- 186.053646 138.0
[M]+ 165.07843142 135.0
[M]- 165.07952858 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.