CID 105273

1,3,5-tripropoxybenzene

Structural Information

Molecular Formula
C15H24O3
SMILES
CCCOC1=CC(=CC(=C1)OCCC)OCCC
InChI
InChI=1S/C15H24O3/c1-4-7-16-13-10-14(17-8-5-2)12-15(11-13)18-9-6-3/h10-12H,4-9H2,1-3H3
InChIKey
RKFICKITOKOWEV-UHFFFAOYSA-N
Compound name
1,3,5-tripropoxybenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

81
Patents

252.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.17983 160.2
[M+Na]+ 275.16177 166.8
[M-H]- 251.16527 163.4
[M+NH4]+ 270.20637 177.9
[M+K]+ 291.13571 165.1
[M+H-H2O]+ 235.16981 153.4
[M+HCOO]- 297.17075 183.5
[M+CH3COO]- 311.18640 197.7
[M+Na-2H]- 273.14722 163.8
[M]+ 252.17200 167.5
[M]- 252.17310 167.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe