CID 110269

Allyl p-cumylphenyl ether

Structural Information

Molecular Formula
C18H20O
SMILES
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OCC=C
InChI
InChI=1S/C18H20O/c1-4-14-19-17-12-10-16(11-13-17)18(2,3)15-8-6-5-7-9-15/h4-13H,1,14H2,2-3H3
InChIKey
AFERVIBWARYXAW-UHFFFAOYSA-N
Compound name
1-(2-phenylpropan-2-yl)-4-prop-2-enoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

252.15141 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.15869 160.1
[M+Na]+ 275.14063 166.7
[M-H]- 251.14413 166.5
[M+NH4]+ 270.18523 177.1
[M+K]+ 291.11457 162.3
[M+H-H2O]+ 235.14867 152.8
[M+HCOO]- 297.14961 182.0
[M+CH3COO]- 311.16526 196.8
[M+Na-2H]- 273.12608 166.0
[M]+ 252.15086 161.3
[M]- 252.15196 161.3
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