CID 3023271

1-vinylhexyl hexanoate

Structural Information

Molecular Formula
C14H26O2
SMILES
CCCCCC(C=C)OC(=O)CCCCC
InChI
InChI=1S/C14H26O2/c1-4-7-9-11-13(6-3)16-14(15)12-10-8-5-2/h6,13H,3-5,7-12H2,1-2H3
InChIKey
NZGQZMCGLBFVDE-UHFFFAOYSA-N
Compound name
oct-1-en-3-yl hexanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.19328 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.200556 159.6
[M+Na]+ 249.182498 163.8
[M-H]- 225.186004 158.7
[M+NH4]+ 244.227103 177.9
[M+K]+ 265.156438 162.1
[M+H-H2O]+ 209.190540 153.9
[M+HCOO]- 271.191481 179.7
[M+CH3COO]- 285.207131 194.5
[M+Na-2H]- 247.167946 160.0
[M]+ 226.19273142 164.1
[M]- 226.19382858 164.1
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.