CID 10872638

3-(prop-2-yn-1-yloxy)prop-1-ene

Structural Information

Molecular Formula
C6H8O
SMILES
C=CCOCC#C
InChI
InChI=1S/C6H8O/c1-3-5-7-6-4-2/h1,4H,2,5-6H2
InChIKey
GAQOILKTBJWUQM-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxyprop-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

181
Patents

96.05752 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 115.8
[M+Na]+ 119.04674 125.8
[M-H]- 95.050244 115.8
[M+NH4]+ 114.09134 136.9
[M+K]+ 135.02068 124.3
[M+H-H2O]+ 79.054780 105.9
[M+HCOO]- 141.05572 134.6
[M+CH3COO]- 155.07137 176.4
[M+Na-2H]- 117.03219 122.6
[M]+ 96.056971 112.0
[M]- 96.058069 112.0
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