CID 76763

Cyclohexyl m-tolyl ketone

Structural Information

Molecular Formula
C14H18O
SMILES
CC1=CC(=CC=C1)C(=O)C2CCCCC2
InChI
InChI=1S/C14H18O/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h5-6,9-10,12H,2-4,7-8H2,1H3
InChIKey
QGCLTCPKWGVNFG-UHFFFAOYSA-N
Compound name
cyclohexyl-(3-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

202.13577 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 146.3
[M+Na]+ 225.124988 150.7
[M-H]- 201.128494 152.0
[M+NH4]+ 220.169593 164.9
[M+K]+ 241.098928 147.9
[M+H-H2O]+ 185.133030 139.3
[M+HCOO]- 247.133971 165.8
[M+CH3COO]- 261.149621 186.2
[M+Na-2H]- 223.110436 149.4
[M]+ 202.13522142 141.5
[M]- 202.13631858 141.5
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

patents stripe