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 163.8
[M+Na]+ 305.15122 171.0
[M-H]- 281.15472 173.3
[M+NH4]+ 300.19582 174.7
[M+K]+ 321.12516 166.9
[M+H-H2O]+ 265.15926 155.1
[M+HCOO]- 327.16020 187.7
[M+CH3COO]- 341.17585 203.1
[M+Na-2H]- 303.13667 169.1
[M]+ 282.16145 168.6
[M]- 282.16255 168.6
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