CID 5367402

3-hexen-1-yne

Structural Information

Molecular Formula
C6H8
SMILES
CC/C=C/C#C
InChI
InChI=1S/C6H8/c1-3-5-6-4-2/h1,5-6H,4H2,2H3/b6-5+
InChIKey
CLFYLNSQRWCJAY-AATRIKPKSA-N
Compound name
(E)-hex-3-en-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

80.0626 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 81.069876 115.5
[M+Na]+ 103.05182 127.2
[M+NH4]+ 98.096423 121.0
[M+K]+ 119.02576 117.7
[M-H]- 79.055324 108.2
[M+Na-2H]- 101.03727 118.2
[M]+ 80.062051 114.2
[M]- 80.063149 114.2
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

patents stripe