CID 643799

Cis-1,4-diacetoxy-2-butene

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
1
Annotation Hits

0
References

811
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 137.5
[M+Na]+ 195.06278 146.3
[M+NH4]+ 190.10738 143.2
[M+K]+ 211.03672 142.3
[M-H]- 171.06628 134.8
[M+Na-2H]- 193.04823 139.2
[M]+ 172.07301 137.5
[M]- 172.07411 137.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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