CID 22163

1,1,3-triethoxybutane

Structural Information

Molecular Formula
C10H22O3
SMILES
CCOC(C)CC(OCC)OCC
InChI
InChI=1S/C10H22O3/c1-5-11-9(4)8-10(12-6-2)13-7-3/h9-10H,5-8H2,1-4H3
InChIKey
MDIBXLWYZGZAKL-UHFFFAOYSA-N
Compound name
1,1,3-triethoxybutane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

139
Patents

190.15689 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.16417 147.2
[M+Na]+ 213.14611 152.3
[M-H]- 189.14961 146.9
[M+NH4]+ 208.19071 167.0
[M+K]+ 229.12005 153.4
[M+H-H2O]+ 173.15415 141.8
[M+HCOO]- 235.15509 168.4
[M+CH3COO]- 249.17074 186.9
[M+Na-2H]- 211.13156 149.6
[M]+ 190.15634 153.1
[M]- 190.15744 153.1
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

No patent data available for this compound.