CID 118878523

Z,z-4,9-dodecadienal

Structural Information

Molecular Formula
C12H20O
SMILES
CC/C=C\CCC/C=C\CCC=O
InChI
InChI=1S/C12H20O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h3-4,8-9,12H,2,5-7,10-11H2,1H3/b4-3-,9-8-
InChIKey
YIGGHYMZXZBWBX-JYKTZQBOSA-N
Compound name
(4Z,9Z)-dodeca-4,9-dienal
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

5
Patents

180.15141 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.15869 144.7
[M+Na]+ 203.14063 150.6
[M-H]- 179.14413 144.1
[M+NH4]+ 198.18523 165.1
[M+K]+ 219.11457 147.5
[M+H-H2O]+ 163.14867 139.6
[M+HCOO]- 225.14961 167.5
[M+CH3COO]- 239.16526 183.4
[M+Na-2H]- 201.12608 148.8
[M]+ 180.15086 147.6
[M]- 180.15196 147.6
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

patents stripe