CID 53432312

85168-92-9

Structural Information

Molecular Formula
C9H12O4
SMILES
CC(=CC(=C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C9H12O4/c1-6(12-8(3)10)5-7(2)13-9(4)11/h5H,1H2,2-4H3
InChIKey
WKYIJSKXLFGLAN-UHFFFAOYSA-N
Compound name
4-acetyloxypenta-2,4-dien-2-yl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.08084 138.3
[M+Na]+ 207.06278 144.9
[M-H]- 183.06628 138.7
[M+NH4]+ 202.10738 158.1
[M+K]+ 223.03672 145.3
[M+H-H2O]+ 167.07082 133.7
[M+HCOO]- 229.07176 159.1
[M+CH3COO]- 243.08741 182.0
[M+Na-2H]- 205.04823 139.2
[M]+ 184.07301 141.1
[M]- 184.07411 141.1
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.