CID 170226

1,1,3-triethoxypentane

Structural Information

Molecular Formula
C11H24O3
SMILES
CCC(CC(OCC)OCC)OCC
InChI
InChI=1S/C11H24O3/c1-5-10(12-6-2)9-11(13-7-3)14-8-4/h10-11H,5-9H2,1-4H3
InChIKey
PWKMTQDJPIKIPC-UHFFFAOYSA-N
Compound name
1,1,3-triethoxypentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

204.17255 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.17983 151.9
[M+Na]+ 227.16177 156.6
[M-H]- 203.16527 151.4
[M+NH4]+ 222.20637 171.1
[M+K]+ 243.13571 157.4
[M+H-H2O]+ 187.16981 146.3
[M+HCOO]- 249.17075 172.8
[M+CH3COO]- 263.18640 189.9
[M+Na-2H]- 225.14722 153.7
[M]+ 204.17200 158.2
[M]- 204.17310 158.2
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