CID 5722733

68516-38-1

Structural Information

Molecular Formula
C16H26O4
SMILES
CC(C)CCCC(C)C/C=C(\C(=C/C(=O)O)\C)/C(=O)O
InChI
InChI=1S/C16H26O4/c1-11(2)6-5-7-12(3)8-9-14(16(19)20)13(4)10-15(17)18/h9-12H,5-8H2,1-4H3,(H,17,18)(H,19,20)/b13-10-,14-9+
InChIKey
AFAUEBFIKITXQG-QWWBJACISA-N
Compound name
(Z,4E)-4-(3,7-dimethyloctylidene)-3-methylpent-2-enedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1831 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.19038 171.9
[M+Na]+ 305.17232 174.2
[M-H]- 281.17582 168.1
[M+NH4]+ 300.21692 186.0
[M+K]+ 321.14626 172.1
[M+H-H2O]+ 265.18036 166.6
[M+HCOO]- 327.18130 185.3
[M+CH3COO]- 341.19695 200.5
[M+Na-2H]- 303.15777 165.4
[M]+ 282.18255 172.1
[M]- 282.18365 172.1
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.