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

28
Patents

204.15141 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 147.8
[M+Na]+ 227.14063 155.7
[M-H]- 203.14413 146.7
[M+NH4]+ 222.18523 165.2
[M+K]+ 243.11457 151.0
[M+H-H2O]+ 187.14867 136.7
[M+HCOO]- 249.14961 164.7
[M+CH3COO]- 263.16526 194.6
[M+Na-2H]- 225.12608 150.7
[M]+ 204.15086 145.3
[M]- 204.15196 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