CID 62186

P-cumylphenyl glycidyl ether

Structural Information

Molecular Formula
C18H20O2
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC3CO3
InChI
InChI=1S/C18H20O2/c1-18(2,14-6-4-3-5-7-14)15-8-10-16(11-9-15)19-12-17-13-20-17/h3-11,17H,12-13H2,1-2H3
InChIKey
MHTUIBIYJWEQKA-UHFFFAOYSA-N
Compound name
2-[[4-(2-phenylpropan-2-yl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

522
Patents

268.14633 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.15361 159.2
[M+Na]+ 291.13555 167.4
[M-H]- 267.13905 170.0
[M+NH4]+ 286.18015 169.6
[M+K]+ 307.10949 165.3
[M+H-H2O]+ 251.14359 151.2
[M+HCOO]- 313.14453 180.9
[M+CH3COO]- 327.16018 200.7
[M+Na-2H]- 289.12100 166.6
[M]+ 268.14578 164.0
[M]- 268.14688 164.0
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