CID 3020216

1-(1,2-dihydro-3-pyridyl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C7H9NO
SMILES
CC(=O)C1=CC=CNC1
InChI
InChI=1S/C7H9NO/c1-6(9)7-3-2-4-8-5-7/h2-4,8H,5H2,1H3
InChIKey
IFTPGDJJAQOORP-UHFFFAOYSA-N
Compound name
1-(1,2-dihydropyridin-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

123.06841 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.07569 124.6
[M+Na]+ 146.05763 136.5
[M+NH4]+ 141.10223 133.0
[M+K]+ 162.03157 130.9
[M-H]- 122.06113 125.6
[M+Na-2H]- 144.04308 131.0
[M]+ 123.06786 126.4
[M]- 123.06896 126.4
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

No patent data available for this compound.