CID 11602

Hexa-1,3-diene

Structural Information

Molecular Formula
C6H10
SMILES
CCC=CC=C
InChI
InChI=1S/C6H10/c1-3-5-6-4-2/h3,5-6H,1,4H2,2H3
InChIKey
AHAREKHAZNPPMI-UHFFFAOYSA-N
Compound name
hexa-1,3-diene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

12
References

72605
Patents

82.07825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.085526 116.6
[M+Na]+ 105.06747 128.4
[M+NH4]+ 100.11207 125.6
[M+K]+ 121.04141 121.2
[M-H]- 81.070974 117.0
[M+Na-2H]- 103.05292 121.7
[M]+ 82.077701 118.3
[M]- 82.078799 118.3
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