CID 2793757

3-cyclopropylprop-2-yn-1-ol

Structural Information

Molecular Formula
C6H8O
SMILES
C1CC1C#CCO
InChI
InChI=1S/C6H8O/c7-5-1-2-6-3-4-6/h6-7H,3-5H2
InChIKey
YPBRKXFDMDCCEA-UHFFFAOYSA-N
Compound name
3-cyclopropylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

153
Patents

96.05752 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 119.9
[M+Na]+ 119.04674 131.7
[M+NH4]+ 114.09134 125.7
[M+K]+ 135.02068 124.8
[M-H]- 95.050244 119.4
[M+Na-2H]- 117.03219 124.9
[M]+ 96.056971 121.5
[M]- 96.058069 121.5
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