CID 90793

Benzoin butyl ether

Structural Information

Molecular Formula
C18H20O2
SMILES
CCCCOC(C1=CC=CC=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C18H20O2/c1-2-3-14-20-18(16-12-8-5-9-13-16)17(19)15-10-6-4-7-11-15/h4-13,18H,2-3,14H2,1H3
InChIKey
DZZAHLOABNWIFA-UHFFFAOYSA-N
Compound name
2-butoxy-1,2-diphenylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19800
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 164.7
[M+Na]+ 291.13555 178.3
[M+NH4]+ 286.18015 173.1
[M+K]+ 307.10949 170.1
[M-H]- 267.13905 169.1
[M+Na-2H]- 289.12100 173.7
[M]+ 268.14578 167.9
[M]- 268.14688 167.9
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