CID 25034157

9z,13-tetradecadien-11-ynal

Structural Information

Molecular Formula
C14H20O
SMILES
C=CC#C/C=C\CCCCCCCC=O
InChI
InChI=1S/C14H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h2,5-6,14H,1,7-13H2/b6-5-
InChIKey
VHKRYAJKUGIJBD-WAYWQWQTSA-N
Compound name
(9Z)-tetradeca-9,13-dien-11-ynal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

30
Patents

204.15141 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.158686 147.8
[M+Na]+ 227.140628 155.7
[M-H]- 203.144134 146.7
[M+NH4]+ 222.185233 165.2
[M+K]+ 243.114568 151.0
[M+H-H2O]+ 187.148670 136.7
[M+HCOO]- 249.149611 164.7
[M+CH3COO]- 263.165261 194.6
[M+Na-2H]- 225.126076 150.7
[M]+ 204.15086142 145.3
[M]- 204.15195858 145.3
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

patents stripe