CID 61013

3-methylpent-2-en-4-yn-1-ol

Structural Information

Molecular Formula
C6H8O
SMILES
CC(=CCO)C#C
InChI
InChI=1S/C6H8O/c1-3-6(2)4-5-7/h1,4,7H,5H2,2H3
InChIKey
ZSJHASYJQIRSLE-UHFFFAOYSA-N
Compound name
3-methylpent-2-en-4-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

241
Patents

96.05752 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 97.064796 119.1
[M+Na]+ 119.04674 129.5
[M+NH4]+ 114.09134 123.6
[M+K]+ 135.02068 121.4
[M-H]- 95.050244 110.5
[M+Na-2H]- 117.03219 120.3
[M]+ 96.056971 117.1
[M]- 96.058069 117.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.