CID 13986101

(6e,12e)-tetradeca-6,12-diene-8,10-diyne-1,3-diol diacetate

Structural Information

Molecular Formula
C18H22O4
SMILES
C/C=C/C#CC#C/C=C/CCC(CCOC(=O)C)OC(=O)C
InChI
InChI=1S/C18H22O4/c1-4-5-6-7-8-9-10-11-12-13-18(22-17(3)20)14-15-21-16(2)19/h4-5,10-11,18H,12-15H2,1-3H3/b5-4+,11-10+
InChIKey
QQRFFZAYQSFFQP-PMXBNEBOSA-N
Compound name
[(6E,12E)-3-acetyloxytetradeca-6,12-dien-8,10-diynyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

302.1518 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.159076 175.0
[M+Na]+ 325.141018 182.6
[M-H]- 301.144524 175.1
[M+NH4]+ 320.185623 185.0
[M+K]+ 341.114958 178.5
[M+H-H2O]+ 285.149060 160.8
[M+HCOO]- 347.150001 182.2
[M+CH3COO]- 361.165651 221.5
[M+Na-2H]- 323.126466 171.7
[M]+ 302.15125142 170.0
[M]- 302.15234858 170.0
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.