CID 74087

3-methylenepent-1-yne

Structural Information

Molecular Formula
C6H8
SMILES
CCC(=C)C#C
InChI
InChI=1S/C6H8/c1-4-6(3)5-2/h1H,3,5H2,2H3
InChIKey
LAKYCCVWZNCNIO-UHFFFAOYSA-N
Compound name
3-methylidenepent-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

504
Patents

80.0626 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 115.5
[M+Na]+ 103.05182 126.8
[M+NH4]+ 98.096423 120.9
[M+K]+ 119.02576 118.1
[M-H]- 79.055324 108.0
[M+Na-2H]- 101.03727 117.8
[M]+ 80.062051 114.1
[M]- 80.063149 114.1
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