CID 171120474

Lycocasuarinen acid a

Structural Information

Molecular Formula
C10H14O3
SMILES
CCCCC(=O)/C=C/C=C/C(=O)O
InChI
InChI=1S/C10H14O3/c1-2-3-6-9(11)7-4-5-8-10(12)13/h4-5,7-8H,2-3,6H2,1H3,(H,12,13)/b7-4+,8-5+
InChIKey
VRLKPTNCXGUVII-NSLJXJERSA-N
Compound name
(2E,4E)-6-oxodeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

182.0943 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 141.6
[M+Na]+ 205.08352 147.6
[M-H]- 181.08702 140.0
[M+NH4]+ 200.12812 160.7
[M+K]+ 221.05746 145.3
[M+H-H2O]+ 165.09156 136.8
[M+HCOO]- 227.09250 162.2
[M+CH3COO]- 241.10815 179.2
[M+Na-2H]- 203.06897 143.6
[M]+ 182.09375 142.6
[M]- 182.09485 142.6
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.