CID 64905674

2-cyclopropyl-1-(pyridin-3-yl)ethan-1-one

Structural Information

Molecular Formula
C10H11NO
SMILES
C1CC1CC(=O)C2=CN=CC=C2
InChI
InChI=1S/C10H11NO/c12-10(6-8-3-4-8)9-2-1-5-11-7-9/h1-2,5,7-8H,3-4,6H2
InChIKey
ZFGQCSHOKQSLML-UHFFFAOYSA-N
Compound name
2-cyclopropyl-1-pyridin-3-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 135.7
[M+Na]+ 184.07328 144.7
[M-H]- 160.07678 141.8
[M+NH4]+ 179.11788 150.1
[M+K]+ 200.04722 141.9
[M+H-H2O]+ 144.08132 128.2
[M+HCOO]- 206.08226 158.8
[M+CH3COO]- 220.09791 181.0
[M+Na-2H]- 182.05873 142.5
[M]+ 161.08351 137.6
[M]- 161.08461 137.6
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.