CID 50547

Benzyl thymyl ether

Structural Information

Molecular Formula
C17H20O
SMILES
CC1=CC(=C(C=C1)C(C)C)OCC2=CC=CC=C2
InChI
InChI=1S/C17H20O/c1-13(2)16-10-9-14(3)11-17(16)18-12-15-7-5-4-6-8-15/h4-11,13H,12H2,1-3H3
InChIKey
CKYBMTWLNJHOLM-UHFFFAOYSA-N
Compound name
4-methyl-2-phenylmethoxy-1-propan-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.15141 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.15869 156.4
[M+Na]+ 263.14063 163.3
[M-H]- 239.14413 163.1
[M+NH4]+ 258.18523 174.1
[M+K]+ 279.11457 159.8
[M+H-H2O]+ 223.14867 149.0
[M+HCOO]- 285.14961 179.0
[M+CH3COO]- 299.16526 196.2
[M+Na-2H]- 261.12608 160.3
[M]+ 240.15086 158.1
[M]- 240.15196 158.1
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

No patent data available for this compound.