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
2
Annotation Hits

0
References

80
Patents

252.17255 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.179826 160.2
[M+Na]+ 275.161768 166.8
[M-H]- 251.165274 163.4
[M+NH4]+ 270.206373 177.9
[M+K]+ 291.135708 165.1
[M+H-H2O]+ 235.169810 153.4
[M+HCOO]- 297.170751 183.5
[M+CH3COO]- 311.186401 197.7
[M+Na-2H]- 273.147216 163.8
[M]+ 252.17200142 167.5
[M]- 252.17309858 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