CID 643799

(2z)-but-2-ene-1,4-diyl diacetate

Structural Information

Molecular Formula
C8H12O4
SMILES
CC(=O)OC/C=C\COC(=O)C
InChI
InChI=1S/C8H12O4/c1-7(9)11-5-3-4-6-12-8(2)10/h3-4H,5-6H2,1-2H3/b4-3-
InChIKey
VZUAUHWZIKOMFC-ARJAWSKDSA-N
Compound name
[(Z)-4-acetyloxybut-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

5
References

2477
Patents

172.07356 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.08084 135.9
[M+Na]+ 195.06278 142.9
[M-H]- 171.06628 136.1
[M+NH4]+ 190.10738 156.3
[M+K]+ 211.03672 143.2
[M+H-H2O]+ 155.07082 131.0
[M+HCOO]- 217.07176 158.7
[M+CH3COO]- 231.08741 178.1
[M+Na-2H]- 193.04823 139.6
[M]+ 172.07301 140.2
[M]- 172.07411 140.2
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.