CID 11506589

208827-90-1

Structural Information

Molecular Formula
C9H16O4
SMILES
C#CCOCCOCCOCCO
InChI
InChI=1S/C9H16O4/c1-2-4-11-6-8-13-9-7-12-5-3-10/h1,10H,3-9H2
InChIKey
CXJWUJYYDLYCCQ-UHFFFAOYSA-N
Compound name
2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

210
Patents

188.10486 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.11214 135.7
[M+Na]+ 211.09408 143.8
[M-H]- 187.09758 133.8
[M+NH4]+ 206.13868 152.8
[M+K]+ 227.06802 142.8
[M+H-H2O]+ 171.10212 124.7
[M+HCOO]- 233.10306 152.8
[M+CH3COO]- 247.11871 188.1
[M+Na-2H]- 209.07953 140.7
[M]+ 188.10431 135.8
[M]- 188.10541 135.8
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