CID 157009897

3-methylidene-4-oxopentyl angelate

Structural Information

Molecular Formula
C11H16O3
SMILES
C/C=C(/C)\C(=O)OCCC(=C)C(=O)C
InChI
InChI=1S/C11H16O3/c1-5-8(2)11(13)14-7-6-9(3)10(4)12/h5H,3,6-7H2,1-2,4H3/b8-5-
InChIKey
BYOAHAKIXHJNTC-YVMONPNESA-N
Compound name
(3-methylidene-4-oxopentyl) (Z)-2-methylbut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.10994 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 144.8
[M+Na]+ 219.09916 150.5
[M-H]- 195.10266 144.8
[M+NH4]+ 214.14376 164.1
[M+K]+ 235.07310 149.8
[M+H-H2O]+ 179.10720 140.0
[M+HCOO]- 241.10814 164.7
[M+CH3COO]- 255.12379 186.7
[M+Na-2H]- 217.08461 144.5
[M]+ 196.10939 146.9
[M]- 196.11049 146.9
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

No patent data available for this compound.