CID 211313

2-chloroethyl 2-propylvalerate

Structural Information

Molecular Formula
C10H19ClO2
SMILES
CCCC(CCC)C(=O)OCCCl
InChI
InChI=1S/C10H19ClO2/c1-3-5-9(6-4-2)10(12)13-8-7-11/h9H,3-8H2,1-2H3
InChIKey
FJMRULIIMVRJHI-UHFFFAOYSA-N
Compound name
2-chloroethyl 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.10736 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.11464 146.3
[M+Na]+ 229.09658 156.3
[M+NH4]+ 224.14118 153.7
[M+K]+ 245.07052 150.2
[M-H]- 205.10008 145.1
[M+Na-2H]- 227.08203 148.9
[M]+ 206.10681 147.4
[M]- 206.10791 147.4
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.