CID 39235704

2174007-68-0

Structural Information

Molecular Formula
C10H11NO
SMILES
CC(=O)[C@@H]1C[C@H]1C2=CC=CC=N2
InChI
InChI=1S/C10H11NO/c1-7(12)8-6-9(8)10-4-2-3-5-11-10/h2-5,8-9H,6H2,1H3/t8-,9+/m0/s1
InChIKey
FUFAJCRLGJVYBG-DTWKUNHWSA-N
Compound name
1-[(1R,2R)-2-pyridin-2-ylcyclopropyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.08406 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.09134 136.2
[M+Na]+ 184.07328 150.9
[M+NH4]+ 179.11788 145.5
[M+K]+ 200.04722 145.8
[M-H]- 160.07678 146.0
[M+Na-2H]- 182.05873 146.6
[M]+ 161.08351 142.2
[M]- 161.08461 142.2
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.