CID 10934002

Rescalure

Structural Information

Molecular Formula
C16H28O2
SMILES
C[C@@H](CCC(CCC=C)C(=C)C)CCOC(=O)C
InChI
InChI=1S/C16H28O2/c1-6-7-8-16(13(2)3)10-9-14(4)11-12-18-15(5)17/h6,14,16H,1-2,7-12H2,3-5H3/t14-,16?/m0/s1
InChIKey
UJJKWQRTTYLTQL-LBAUFKAWSA-N
Compound name
[(3S)-3-methyl-6-prop-1-en-2-yldec-9-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

461
Patents

252.20892 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.216196 167.0
[M+Na]+ 275.198138 170.3
[M-H]- 251.201644 166.0
[M+NH4]+ 270.242743 184.1
[M+K]+ 291.172078 168.4
[M+H-H2O]+ 235.206180 161.3
[M+HCOO]- 297.207121 184.7
[M+CH3COO]- 311.222771 201.2
[M+Na-2H]- 273.183586 163.9
[M]+ 252.20837142 170.3
[M]- 252.20946858 170.3
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