CID 171120336

Heptadeca-6z,9z-diene-5,11-dione

Structural Information

Molecular Formula
C17H28O2
SMILES
CCCCCCC(=O)/C=C\C/C=C\C(=O)CCCC
InChI
InChI=1S/C17H28O2/c1-3-5-7-9-13-17(19)15-11-8-10-14-16(18)12-6-4-2/h10-11,14-15H,3-9,12-13H2,1-2H3/b14-10-,15-11-
InChIKey
LDTSNZOZJWHQPZ-HYQBVQLESA-N
Compound name
(6Z,9Z)-heptadeca-6,9-diene-5,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

264.20892 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.21620 169.9
[M+Na]+ 287.19814 173.6
[M-H]- 263.20164 168.6
[M+NH4]+ 282.24274 186.6
[M+K]+ 303.17208 169.9
[M+H-H2O]+ 247.20618 163.9
[M+HCOO]- 309.20712 189.5
[M+CH3COO]- 323.22277 201.0
[M+Na-2H]- 285.18359 168.8
[M]+ 264.20837 174.1
[M]- 264.20947 174.1
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.