CID 556348

22971-32-0

Structural Information

Molecular Formula
C9H11NO
SMILES
CCCC(=O)C1=CC=CC=N1
InChI
InChI=1S/C9H11NO/c1-2-5-9(11)8-6-3-4-7-10-8/h3-4,6-7H,2,5H2,1H3
InChIKey
IWVHZRXWFIWOMH-UHFFFAOYSA-N
Compound name
1-pyridin-2-ylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

257
Patents

149.08406 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.09134 130.4
[M+Na]+ 172.07328 137.9
[M-H]- 148.07678 132.6
[M+NH4]+ 167.11788 150.3
[M+K]+ 188.04722 136.3
[M+H-H2O]+ 132.08132 123.9
[M+HCOO]- 194.08226 153.2
[M+CH3COO]- 208.09791 176.0
[M+Na-2H]- 170.05873 137.6
[M]+ 149.08351 131.0
[M]- 149.08461 131.0
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