CID 20836219

(z)-hex-3-enyl acetoacetate

Structural Information

Molecular Formula
C10H16O3
SMILES
CC/C=C\CCOC(=O)CC(=O)C
InChI
InChI=1S/C10H16O3/c1-3-4-5-6-7-13-10(12)8-9(2)11/h4-5H,3,6-8H2,1-2H3/b5-4-
InChIKey
JCPGKFSGEPVXMI-PLNGDYQASA-N
Compound name
[(Z)-hex-3-enyl] 3-oxobutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

51
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 142.3
[M+Na]+ 207.09916 148.5
[M-H]- 183.10266 142.2
[M+NH4]+ 202.14376 162.3
[M+K]+ 223.07310 147.8
[M+H-H2O]+ 167.10720 137.3
[M+HCOO]- 229.10814 164.3
[M+CH3COO]- 243.12379 182.8
[M+Na-2H]- 205.08461 144.9
[M]+ 184.10939 146.0
[M]- 184.11049 146.0
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