CID 5743581

((4-cyclohexylphenoxy)methyl)oxirane

Structural Information

Molecular Formula
C15H20O2
SMILES
C1CCC(CC1)C2=CC=C(C=C2)OCC3CO3
InChI
InChI=1S/C15H20O2/c1-2-4-12(5-3-1)13-6-8-14(9-7-13)16-10-15-11-17-15/h6-9,12,15H,1-5,10-11H2
InChIKey
PWOUMDUXOSIEIV-UHFFFAOYSA-N
Compound name
2-[(4-cyclohexylphenoxy)methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
Patents

232.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.15361 150.7
[M+Na]+ 255.13555 156.9
[M-H]- 231.13905 160.7
[M+NH4]+ 250.18015 162.2
[M+K]+ 271.10949 155.5
[M+H-H2O]+ 215.14359 142.7
[M+HCOO]- 277.14453 170.6
[M+CH3COO]- 291.16018 162.4
[M+Na-2H]- 253.12100 156.1
[M]+ 232.14578 150.9
[M]- 232.14688 150.9
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