CID 10872638

1-propene, 3-(2-propynyloxy)-

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

21
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 118.2
[M+Na]+ 119.04674 129.3
[M+NH4]+ 114.09134 123.1
[M+K]+ 135.02068 120.4
[M-H]- 95.050244 110.3
[M+Na-2H]- 117.03219 120.3
[M]+ 96.056971 116.6
[M]- 96.058069 116.6
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