CID 140754

Benzene, 1-butoxy-4-methoxy-

Structural Information

Molecular Formula
C11H16O2
SMILES
CCCCOC1=CC=C(C=C1)OC
InChI
InChI=1S/C11H16O2/c1-3-4-9-13-11-7-5-10(12-2)6-8-11/h5-8H,3-4,9H2,1-2H3
InChIKey
LBDWIFOIHJVJBH-UHFFFAOYSA-N
Compound name
1-butoxy-4-methoxybenzene
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

119
Patents

180.11504 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.12232 139.0
[M+Na]+ 203.10426 146.5
[M-H]- 179.10776 142.6
[M+NH4]+ 198.14886 159.4
[M+K]+ 219.07820 145.2
[M+H-H2O]+ 163.11230 133.1
[M+HCOO]- 225.11324 163.4
[M+CH3COO]- 239.12889 182.6
[M+Na-2H]- 201.08971 145.5
[M]+ 180.11449 143.0
[M]- 180.11559 143.0
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