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]+ 283.190376 171.9
[M+Na]+ 305.172318 174.2
[M-H]- 281.175824 168.1
[M+NH4]+ 300.216923 186.0
[M+K]+ 321.146258 172.1
[M+H-H2O]+ 265.180360 166.6
[M+HCOO]- 327.181301 185.3
[M+CH3COO]- 341.196951 200.5
[M+Na-2H]- 303.157766 165.4
[M]+ 282.18255142 172.1
[M]- 282.18364858 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.