CID 5283343

2-nonene-4,6,8-triynal

Structural Information

Molecular Formula
C9H4O
SMILES
C#CC#CC#C/C=C/C=O
InChI
InChI=1S/C9H4O/c1-2-3-4-5-6-7-8-9-10/h1,7-9H/b8-7+
InChIKey
YZDIZAOHDWYDBH-BQYQJAHWSA-N
Compound name
(E)-non-2-en-4,6,8-triynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.02621 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03349 156.1
[M+Na]+ 151.01543 164.7
[M-H]- 127.01893 159.1
[M+NH4]+ 146.06003 165.1
[M+K]+ 166.98937 161.1
[M+H-H2O]+ 111.02347 144.9
[M+HCOO]- 173.02441 160.1
[M+CH3COO]- 187.04006 224.0
[M+Na-2H]- 149.00088 155.6
[M]+ 128.02566 148.6
[M]- 128.02676 148.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.