CID 6436652

57022-74-9

Structural Information

Molecular Formula
C15H26O2
SMILES
CCCCC/C=C/C=C/COC(=O)CC(C)C
InChI
InChI=1S/C15H26O2/c1-4-5-6-7-8-9-10-11-12-17-15(16)13-14(2)3/h8-11,14H,4-7,12-13H2,1-3H3/b9-8+,11-10+
InChIKey
BFONWEJKMSLMCY-BNFZFUHLSA-N
Compound name
[(2E,4E)-deca-2,4-dienyl] 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.200556 162.8
[M+Na]+ 261.182498 167.1
[M-H]- 237.186004 161.9
[M+NH4]+ 256.227103 180.8
[M+K]+ 277.156438 164.5
[M+H-H2O]+ 221.190540 157.1
[M+HCOO]- 283.191481 182.9
[M+CH3COO]- 297.207131 195.2
[M+Na-2H]- 259.167946 162.7
[M]+ 238.19273142 166.9
[M]- 238.19382858 166.9
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.