CID 147152

Butoxyanisole

Structural Information

Molecular Formula
C11H16O2
SMILES
CCCCOCOC1=CC=CC=C1
InChI
InChI=1S/C11H16O2/c1-2-3-9-12-10-13-11-7-5-4-6-8-11/h4-8H,2-3,9-10H2,1H3
InChIKey
PLXUFYVBQPIQQH-UHFFFAOYSA-N
Compound name
butoxymethoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1602
Patents

180.11504 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.6
[M+Na]+ 203.10426 146.2
[M-H]- 179.10776 142.8
[M+NH4]+ 198.14886 159.7
[M+K]+ 219.07820 144.9
[M+H-H2O]+ 163.11230 133.4
[M+HCOO]- 225.11324 164.1
[M+CH3COO]- 239.12889 181.5
[M+Na-2H]- 201.08971 146.8
[M]+ 180.11449 143.2
[M]- 180.11559 143.2
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