CID 3017300

1,1,1-tributoxypentane

Structural Information

Molecular Formula
C17H36O3
SMILES
CCCCC(OCCCC)(OCCCC)OCCCC
InChI
InChI=1S/C17H36O3/c1-5-9-13-17(18-14-10-6-2,19-15-11-7-3)20-16-12-8-4/h5-16H2,1-4H3
InChIKey
YUIXLOBIXABLRJ-UHFFFAOYSA-N
Compound name
1,1,1-tributoxypentane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

288.26645 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.27373 178.6
[M+Na]+ 311.25567 181.7
[M-H]- 287.25917 177.1
[M+NH4]+ 306.30027 194.6
[M+K]+ 327.22961 180.4
[M+H-H2O]+ 271.26371 172.3
[M+HCOO]- 333.26465 197.9
[M+CH3COO]- 347.28030 206.6
[M+Na-2H]- 309.24112 180.6
[M]+ 288.26590 188.0
[M]- 288.26700 188.0
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