CID 136585

2,6-octadiyne

Structural Information

Molecular Formula
C8H10
SMILES
CC#CCCC#CC
InChI
InChI=1S/C8H10/c1-3-5-7-8-6-4-2/h7-8H2,1-2H3
InChIKey
PHNFSGFUJPBCLS-UHFFFAOYSA-N
Compound name
octa-2,6-diyne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

676
Patents

106.07825 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.08553 134.2
[M+Na]+ 129.06747 144.2
[M-H]- 105.07097 135.4
[M+NH4]+ 124.11207 149.7
[M+K]+ 145.04141 141.2
[M+H-H2O]+ 89.075510 121.6
[M+HCOO]- 151.07645 144.4
[M+CH3COO]- 165.09210 200.4
[M+Na-2H]- 127.05292 137.5
[M]+ 106.07770 126.7
[M]- 106.07880 126.7
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