CID 11598

1,5-hexadiene

Structural Information

Molecular Formula
C6H10
SMILES
C=CCCC=C
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3-4H,1-2,5-6H2
InChIKey
PYGSKMBEVAICCR-UHFFFAOYSA-N
Compound name
hexa-1,5-diene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

42
References

63327
Patents

82.07825 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 116.5
[M+Na]+ 105.06747 128.2
[M+NH4]+ 100.11207 125.4
[M+K]+ 121.04141 121.1
[M-H]- 81.070974 116.8
[M+Na-2H]- 103.05292 121.6
[M]+ 82.077701 118.1
[M]- 82.078799 118.1
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