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
5
Annotation Hits

42
References

78836
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 114.9
[M+Na]+ 105.067468 122.7
[M-H]- 81.070974 115.4
[M+NH4]+ 100.112073 139.1
[M+K]+ 121.041408 121.6
[M+H-H2O]+ 65.075510 111.1
[M+HCOO]- 127.076451 139.1
[M+CH3COO]- 141.092101 165.5
[M+Na-2H]- 103.052916 122.4
[M]+ 82.07770142 114.8
[M]- 82.07879858 114.8
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