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

33
Patents

252.15141 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.158686 160.1
[M+Na]+ 275.140628 166.7
[M-H]- 251.144134 166.5
[M+NH4]+ 270.185233 177.1
[M+K]+ 291.114568 162.3
[M+H-H2O]+ 235.148670 152.8
[M+HCOO]- 297.149611 182.0
[M+CH3COO]- 311.165261 196.8
[M+Na-2H]- 273.126076 166.0
[M]+ 252.15086142 161.3
[M]- 252.15195858 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