CID 153911

2-(4-ethenoxybutoxy)ethanol

Structural Information

Molecular Formula
C8H16O3
SMILES
C=COCCCCOCCO
InChI
InChI=1S/C8H16O3/c1-2-10-6-3-4-7-11-8-5-9/h2,9H,1,3-8H2
InChIKey
KWOLERVXPZAEED-UHFFFAOYSA-N
Compound name
2-(4-ethenoxybutoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

160.10994 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.117216 135.9
[M+Na]+ 183.099158 142.1
[M-H]- 159.102664 134.4
[M+NH4]+ 178.143763 156.2
[M+K]+ 199.073098 141.3
[M+H-H2O]+ 143.107200 131.0
[M+HCOO]- 205.108141 158.5
[M+CH3COO]- 219.123791 175.6
[M+Na-2H]- 181.084606 141.5
[M]+ 160.10939142 139.8
[M]- 160.11048858 139.8
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