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

137
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

literature stripe

Patent stripe

patents stripe