CID 5283365

2-tridecene-4,7-diynal

Structural Information

Molecular Formula
C13H16O
SMILES
CCCCCCC#CC#C/C=C/C=O
InChI
InChI=1S/C13H16O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h11-13H,2-6H2,1H3/b12-11+
InChIKey
UNXLTTXDLORHGO-VAWYXSNFSA-N
Compound name
(E)-tridec-2-en-4,6-diynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.12012 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.12740 151.3
[M+Na]+ 211.10934 160.5
[M-H]- 187.11284 152.0
[M+NH4]+ 206.15394 164.6
[M+K]+ 227.08328 156.1
[M+H-H2O]+ 171.11738 138.0
[M+HCOO]- 233.11832 160.9
[M+CH3COO]- 247.13397 209.2
[M+Na-2H]- 209.09479 152.6
[M]+ 188.11957 144.9
[M]- 188.12067 144.9
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.