CID 16205250

71617-11-3

Structural Information

Molecular Formula
C17H30O2
SMILES
CCCCCCC(=O)OC(C)(CCC=C(C)C)C=C
InChI
InChI=1S/C17H30O2/c1-6-8-9-10-13-16(18)19-17(5,7-2)14-11-12-15(3)4/h7,12H,2,6,8-11,13-14H2,1,3-5H3
InChIKey
APBQXTVQNYJPRE-UHFFFAOYSA-N
Compound name
3,7-dimethylocta-1,6-dien-3-yl heptanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

266.22458 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.231856 170.6
[M+Na]+ 289.213798 174.5
[M-H]- 265.217304 169.6
[M+NH4]+ 284.258403 187.5
[M+K]+ 305.187738 171.8
[M+H-H2O]+ 249.221840 165.3
[M+HCOO]- 311.222781 188.5
[M+CH3COO]- 325.238431 202.2
[M+Na-2H]- 287.199246 170.3
[M]+ 266.22403142 175.1
[M]- 266.22512858 175.1
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

patents stripe