CID 36277

32921-23-6

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CCC(CC1)C(=O)C2=CC=NC=C2
InChI
InChI=1S/C12H15NO/c14-12(10-4-2-1-3-5-10)11-6-8-13-9-7-11/h6-10H,1-5H2
InChIKey
RTTGIHAIWOHFBI-UHFFFAOYSA-N
Compound name
cyclohexyl(pyridin-4-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

189.11537 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.12265 143.5
[M+Na]+ 212.10459 156.1
[M+NH4]+ 207.14919 152.6
[M+K]+ 228.07853 148.9
[M-H]- 188.10809 147.3
[M+Na-2H]- 210.09004 151.7
[M]+ 189.11482 146.3
[M]- 189.11592 146.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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