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]+ 201.148526 148.4
[M+Na]+ 223.130468 154.1
[M-H]- 199.133974 148.0
[M+NH4]+ 218.175073 167.9
[M+K]+ 239.104408 153.3
[M+H-H2O]+ 183.138510 143.0
[M+HCOO]- 245.139451 170.8
[M+CH3COO]- 259.155101 185.9
[M+Na-2H]- 221.115916 151.7
[M]+ 200.14070142 153.9
[M]- 200.14179858 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.