CID 6450439

72894-10-1

Structural Information

Molecular Formula
C11H20O3
SMILES
CCCCCOCC(=O)OC/C=C/C
InChI
InChI=1S/C11H20O3/c1-3-5-7-8-13-10-11(12)14-9-6-4-2/h4,6H,3,5,7-10H2,1-2H3/b6-4+
InChIKey
QHBHZWFMPCJXIQ-GQCTYLIASA-N
Compound name
[(E)-but-2-enyl] 2-pentoxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.14125 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.14853 148.4
[M+Na]+ 223.13047 154.1
[M-H]- 199.13397 148.0
[M+NH4]+ 218.17507 167.9
[M+K]+ 239.10441 153.3
[M+H-H2O]+ 183.13851 143.0
[M+HCOO]- 245.13945 170.8
[M+CH3COO]- 259.15510 185.9
[M+Na-2H]- 221.11592 151.7
[M]+ 200.14070 153.9
[M]- 200.14180 153.9
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.