CID 19966

2-hexene

Structural Information

Molecular Formula
C6H12
SMILES
CCCC=CC
InChI
InChI=1S/C6H12/c1-3-5-6-4-2/h3,5H,4,6H2,1-2H3
InChIKey
RYPKRALMXUUNKS-UHFFFAOYSA-N
Compound name
hex-2-ene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

14
References

45462
Patents

84.0939 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 85.101176 117.2
[M+Na]+ 107.08312 128.9
[M+NH4]+ 102.12772 126.4
[M+K]+ 123.05706 121.8
[M-H]- 83.086624 117.8
[M+Na-2H]- 105.06857 122.4
[M]+ 84.093351 118.9
[M]- 84.094449 118.9
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