CID 522708

1-penten-4-yne

Structural Information

Molecular Formula
C5H6
SMILES
C=CCC#C
InChI
InChI=1S/C5H6/c1-3-5-4-2/h1,4H,2,5H2
InChIKey
LKOBTUTURSPCEE-UHFFFAOYSA-N
Compound name
pent-1-en-4-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

1470
Patents

66.04695 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 67.054226 111.4
[M+Na]+ 89.036168 123.2
[M+NH4]+ 84.080773 117.0
[M+K]+ 105.01011 113.9
[M-H]- 65.039674 104.1
[M+Na-2H]- 87.021616 114.3
[M]+ 66.046401 110.1
[M]- 66.047499 110.1
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