CID 6365337

(e)-3-formylbut-2-enyl acetate

Structural Information

Molecular Formula
C7H10O3
SMILES
C/C(=C\COC(=O)C)/C=O
InChI
InChI=1S/C7H10O3/c1-6(5-8)3-4-10-7(2)9/h3,5H,4H2,1-2H3/b6-3+
InChIKey
LPDDKAJRWGPGSI-ZZXKWVIFSA-N
Compound name
[(E)-3-methyl-4-oxobut-2-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

185
Patents

142.06299 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.07027 130.2
[M+Na]+ 165.05221 139.6
[M+NH4]+ 160.09681 136.6
[M+K]+ 181.02615 135.4
[M-H]- 141.05571 128.1
[M+Na-2H]- 163.03766 132.6
[M]+ 142.06244 130.5
[M]- 142.06354 130.5
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

patents stripe