CID 15917060

87450-10-0

Structural Information

Molecular Formula
C11H20O5
SMILES
C#CCOCCOCCOCCOCCO
InChI
InChI=1S/C11H20O5/c1-2-4-13-6-8-15-10-11-16-9-7-14-5-3-12/h1,12H,3-11H2
InChIKey
WQMJFCWQBPUZCK-UHFFFAOYSA-N
Compound name
2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

159
Patents

232.13107 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.138346 145.0
[M+Na]+ 255.120288 152.2
[M-H]- 231.123794 142.7
[M+NH4]+ 250.164893 160.5
[M+K]+ 271.094228 151.3
[M+H-H2O]+ 215.128330 133.5
[M+HCOO]- 277.129271 161.8
[M+CH3COO]- 291.144921 195.3
[M+Na-2H]- 253.105736 149.3
[M]+ 232.13052142 147.2
[M]- 232.13161858 147.2
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