CID 5367402

3-hexen-1-yne, (3e)-

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

204
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 113.5
[M+Na]+ 103.05182 123.7
[M-H]- 79.055324 113.7
[M+NH4]+ 98.096423 135.4
[M+K]+ 119.02576 121.8
[M+H-H2O]+ 63.059860 103.9
[M+HCOO]- 125.06080 132.2
[M+CH3COO]- 139.07645 174.1
[M+Na-2H]- 101.03727 120.5
[M]+ 80.062051 108.5
[M]- 80.063149 108.5
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