CID 11602

42296-74-2

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
4
Annotation Hits

12
References

89066
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 115.1
[M+Na]+ 105.067468 123.0
[M-H]- 81.070974 115.6
[M+NH4]+ 100.112073 139.4
[M+K]+ 121.041408 121.9
[M+H-H2O]+ 65.075510 111.4
[M+HCOO]- 127.076451 139.3
[M+CH3COO]- 141.092101 164.9
[M+Na-2H]- 103.052916 122.6
[M]+ 82.07770142 114.9
[M]- 82.07879858 114.9
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