CID 221526

1-cyclohexyl-4-methoxybenzene

Structural Information

Molecular Formula
C13H18O
SMILES
COC1=CC=C(C=C1)C2CCCCC2
InChI
InChI=1S/C13H18O/c1-14-13-9-7-12(8-10-13)11-5-3-2-4-6-11/h7-11H,2-6H2,1H3
InChIKey
YJJPDZNZPQKZGC-UHFFFAOYSA-N
Compound name
1-cyclohexyl-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

179
Patents

190.13577 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.143046 142.8
[M+Na]+ 213.124988 147.7
[M-H]- 189.128494 148.6
[M+NH4]+ 208.169593 162.1
[M+K]+ 229.098928 145.3
[M+H-H2O]+ 173.133030 135.9
[M+HCOO]- 235.133971 163.5
[M+CH3COO]- 249.149621 183.2
[M+Na-2H]- 211.110436 147.7
[M]+ 190.13522142 139.0
[M]- 190.13631858 139.0
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