CID 9543640

6e-octene-2,4-diynoic acid

Structural Information

Molecular Formula
C8H6O2
SMILES
C/C=C/C#CC#CC(=O)O
InChI
InChI=1S/C8H6O2/c1-2-3-4-5-6-7-8(9)10/h2-3H,1H3,(H,9,10)/b3-2+
InChIKey
PLQITNSZGATMPR-NSCUHMNNSA-N
Compound name
(E)-oct-6-en-2,4-diynoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

134.03677 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04405 143.0
[M+Na]+ 157.02599 152.9
[M-H]- 133.02949 143.4
[M+NH4]+ 152.07059 157.1
[M+K]+ 172.99993 149.6
[M+H-H2O]+ 117.03403 130.3
[M+HCOO]- 179.03497 152.0
[M+CH3COO]- 193.05062 199.5
[M+Na-2H]- 155.01144 144.5
[M]+ 134.03622 134.5
[M]- 134.03732 134.5
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

No patent data available for this compound.