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
2
Annotation Hits

0
References

1
Patents

184.07356 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.080836 138.3
[M+Na]+ 207.062778 144.9
[M-H]- 183.066284 138.7
[M+NH4]+ 202.107383 158.1
[M+K]+ 223.036718 145.3
[M+H-H2O]+ 167.070820 133.7
[M+HCOO]- 229.071761 159.1
[M+CH3COO]- 243.087411 182.0
[M+Na-2H]- 205.048226 139.2
[M]+ 184.07301142 141.1
[M]- 184.07410858 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

patents stripe