CID 76217

Pent-4-en-2-yn-1-ol

Structural Information

Molecular Formula
C5H6O
SMILES
C=CC#CCO
InChI
InChI=1S/C5H6O/c1-2-3-4-5-6/h2,6H,1,5H2
InChIKey
NUFXLGXWZFVTSU-UHFFFAOYSA-N
Compound name
pent-4-en-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

71
Patents

82.04186 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 114.4
[M+Na]+ 105.03108 124.6
[M-H]- 81.034584 113.4
[M+NH4]+ 100.07568 135.5
[M+K]+ 121.00502 122.5
[M+H-H2O]+ 65.039120 104.9
[M+HCOO]- 127.04006 132.1
[M+CH3COO]- 141.05571 169.9
[M+Na-2H]- 103.01653 121.1
[M]+ 82.041311 108.4
[M]- 82.042409 108.4
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.