CID 70195

1,1,1-triethoxypentane

Structural Information

Molecular Formula
C11H24O3
SMILES
CCCCC(OCC)(OCC)OCC
InChI
InChI=1S/C11H24O3/c1-5-9-10-11(12-6-2,13-7-3)14-8-4/h5-10H2,1-4H3
InChIKey
DIKAUBKIDNXNNW-UHFFFAOYSA-N
Compound name
1,1,1-triethoxypentane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

403
Patents

204.17255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.179826 151.0
[M+Na]+ 227.161768 156.6
[M-H]- 203.165274 150.6
[M+NH4]+ 222.206373 170.5
[M+K]+ 243.135708 156.9
[M+H-H2O]+ 187.169810 145.9
[M+HCOO]- 249.170751 172.4
[M+CH3COO]- 263.186401 188.6
[M+Na-2H]- 225.147216 156.2
[M]+ 204.17200142 158.2
[M]- 204.17309858 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