CID 11514697

1-[2-(cyclopropylmethoxy)ethyl]-4-(phenylmethoxy)benzene

Structural Information

Molecular Formula
C19H22O2
SMILES
C1CC1COCCC2=CC=C(C=C2)OCC3=CC=CC=C3
InChI
InChI=1S/C19H22O2/c1-2-4-17(5-3-1)15-21-19-10-8-16(9-11-19)12-13-20-14-18-6-7-18/h1-5,8-11,18H,6-7,12-15H2
InChIKey
MJXKOFSFYPVTSI-UHFFFAOYSA-N
Compound name
1-[2-(cyclopropylmethoxy)ethyl]-4-phenylmethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

282.162 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16928 169.4
[M+Na]+ 305.15122 185.3
[M+NH4]+ 300.19582 179.1
[M+K]+ 321.12516 177.2
[M-H]- 281.15472 182.4
[M+Na-2H]- 303.13667 181.9
[M]+ 282.16145 176.7
[M]- 282.16255 176.7
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

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