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

197
Patents

232.13107 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.13835 145.0
[M+Na]+ 255.12029 152.2
[M-H]- 231.12379 142.7
[M+NH4]+ 250.16489 160.5
[M+K]+ 271.09423 151.3
[M+H-H2O]+ 215.12833 133.5
[M+HCOO]- 277.12927 161.8
[M+CH3COO]- 291.14492 195.3
[M+Na-2H]- 253.10574 149.3
[M]+ 232.13052 147.2
[M]- 232.13162 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