CID 2794612

1-cyclohexyl-2-phenylethanone

Structural Information

Molecular Formula
C14H18O
SMILES
C1CCC(CC1)C(=O)CC2=CC=CC=C2
InChI
InChI=1S/C14H18O/c15-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKey
NHBBLULITNXPDY-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-phenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

202.13577 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.143046 146.9
[M+Na]+ 225.124988 150.3
[M-H]- 201.128494 152.2
[M+NH4]+ 220.169593 165.1
[M+K]+ 241.098928 147.5
[M+H-H2O]+ 185.133030 139.7
[M+HCOO]- 247.133971 166.4
[M+CH3COO]- 261.149621 185.1
[M+Na-2H]- 223.110436 150.7
[M]+ 202.13522142 141.7
[M]- 202.13631858 141.7
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