CID 81639

7218-43-1

Structural Information

Molecular Formula
C7H12O3
SMILES
C#CCOCCOCCO
InChI
InChI=1S/C7H12O3/c1-2-4-9-6-7-10-5-3-8/h1,8H,3-7H2
InChIKey
HUSDTFBXUYBZJD-UHFFFAOYSA-N
Compound name
2-(2-prop-2-ynoxyethoxy)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

230
Patents

144.07864 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 145.08592 128.2
[M+Na]+ 167.06786 137.8
[M+NH4]+ 162.11246 131.8
[M+K]+ 183.04180 129.9
[M-H]- 143.07136 119.0
[M+Na-2H]- 165.05331 128.8
[M]+ 144.07809 125.9
[M]- 144.07919 125.9
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