CID 97758

2-penten-4-yn-1-ol

Structural Information

Molecular Formula
C5H6O
SMILES
C#CC=CCO
InChI
InChI=1S/C5H6O/c1-2-3-4-5-6/h1,3-4,6H,5H2
InChIKey
TWJDCTNDUKKEMU-UHFFFAOYSA-N
Compound name
pent-2-en-4-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

182
Patents

82.04186 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.049136 114.0
[M+Na]+ 105.03108 124.2
[M-H]- 81.034584 113.0
[M+NH4]+ 100.07568 135.1
[M+K]+ 121.00502 122.1
[M+H-H2O]+ 65.039120 104.6
[M+HCOO]- 127.04006 131.8
[M+CH3COO]- 141.05571 170.6
[M+Na-2H]- 103.01653 120.8
[M]+ 82.041311 108.2
[M]- 82.042409 108.2
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.