CID 6441317

Ns00121983

Structural Information

Molecular Formula
C16H20O3
SMILES
C/C=C/C1C(C(=O)OC1=O)/C(=C(/C)\C=C\C)/C=C/C
InChI
InChI=1S/C16H20O3/c1-5-8-11(4)12(9-6-2)14-13(10-7-3)15(17)19-16(14)18/h5-10,13-14H,1-4H3/b8-5+,9-6+,10-7+,12-11-
InChIKey
HMPKEASQQFCPHT-XWFIVDQISA-N
Compound name
3-[(2E,4Z,6E)-5-methylocta-2,4,6-trien-4-yl]-4-[(E)-prop-1-enyl]oxolane-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.14124 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.148516 161.9
[M+Na]+ 283.130458 168.7
[M-H]- 259.133964 165.7
[M+NH4]+ 278.175063 179.7
[M+K]+ 299.104398 165.2
[M+H-H2O]+ 243.138500 157.1
[M+HCOO]- 305.139441 181.0
[M+CH3COO]- 319.155091 196.9
[M+Na-2H]- 281.115906 159.2
[M]+ 260.14069142 162.6
[M]- 260.14178858 162.6
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.