CID 11083864

3-(prop-2-yn-1-yloxy)propan-1-ol

Structural Information

Molecular Formula
C6H10O2
SMILES
C#CCOCCCO
InChI
InChI=1S/C6H10O2/c1-2-5-8-6-3-4-7/h1,7H,3-6H2
InChIKey
VSVSRNTZDSTNLP-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxypropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

114.06808 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.07536 121.5
[M+Na]+ 137.05730 131.7
[M+NH4]+ 132.10190 125.8
[M+K]+ 153.03124 123.6
[M-H]- 113.06080 112.9
[M+Na-2H]- 135.04275 122.8
[M]+ 114.06753 119.5
[M]- 114.06863 119.5
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