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

46
Patents

232.14633 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.153606 150.7
[M+Na]+ 255.135548 156.9
[M-H]- 231.139054 160.7
[M+NH4]+ 250.180153 162.2
[M+K]+ 271.109488 155.5
[M+H-H2O]+ 215.143590 142.7
[M+HCOO]- 277.144531 170.6
[M+CH3COO]- 291.160181 162.4
[M+Na-2H]- 253.120996 156.1
[M]+ 232.14578142 150.9
[M]- 232.14687858 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