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 135.3
[M+Na]+ 184.07328 145.1
[M-H]- 160.07678 141.7
[M+NH4]+ 179.11788 150.0
[M+K]+ 200.04722 142.2
[M+H-H2O]+ 144.08132 128.0
[M+HCOO]- 206.08226 158.3
[M+CH3COO]- 220.09791 182.0
[M+Na-2H]- 182.05873 141.4
[M]+ 161.08351 137.5
[M]- 161.08461 137.5
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.