CID 17883611

886364-74-5

Structural Information

Molecular Formula
C8H9NO2
SMILES
CC(=O)C1=CC(=CN=C1)OC
InChI
InChI=1S/C8H9NO2/c1-6(10)7-3-8(11-2)5-9-4-7/h3-5H,1-2H3
InChIKey
NCDNULVIERIXPT-UHFFFAOYSA-N
Compound name
1-(5-methoxy-3-pyridinyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

151.06332 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 152.070596 128.2
[M+Na]+ 174.052538 137.1
[M-H]- 150.056044 131.0
[M+NH4]+ 169.097143 148.3
[M+K]+ 190.026478 136.3
[M+H-H2O]+ 134.060580 122.0
[M+HCOO]- 196.061521 151.6
[M+CH3COO]- 210.077171 176.0
[M+Na-2H]- 172.037986 135.2
[M]+ 151.06277142 130.3
[M]- 151.06386858 130.3
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