CID 91654565

3-(3-methylpyridin-2-yl)cyclohexan-1-one

Structural Information

Molecular Formula
C12H15NO
SMILES
CC1=C(N=CC=C1)C2CCCC(=O)C2
InChI
InChI=1S/C12H15NO/c1-9-4-3-7-13-12(9)10-5-2-6-11(14)8-10/h3-4,7,10H,2,5-6,8H2,1H3
InChIKey
BNCWUMAHYSXYHP-UHFFFAOYSA-N
Compound name
3-(3-methylpyridin-2-yl)cyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

189.11537 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 142.7
[M+Na]+ 212.10459 156.5
[M+NH4]+ 207.14919 152.0
[M+K]+ 228.07853 148.8
[M-H]- 188.10809 146.9
[M+Na-2H]- 210.09004 150.9
[M]+ 189.11482 145.9
[M]- 189.11592 145.9
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

patents stripe