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]+ 183.101576 141.6
[M+Na]+ 205.083518 147.6
[M-H]- 181.087024 140.0
[M+NH4]+ 200.128123 160.7
[M+K]+ 221.057458 145.3
[M+H-H2O]+ 165.091560 136.8
[M+HCOO]- 227.092501 162.2
[M+CH3COO]- 241.108151 179.2
[M+Na-2H]- 203.068966 143.6
[M]+ 182.09375142 142.6
[M]- 182.09484858 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.