CID 62736

Mcpa-butotyl

Structural Information

Molecular Formula
C15H21ClO4
SMILES
CCCCOCCOC(=O)COC1=C(C=C(C=C1)Cl)C
InChI
InChI=1S/C15H21ClO4/c1-3-4-7-18-8-9-19-15(17)11-20-14-6-5-13(16)10-12(14)2/h5-6,10H,3-4,7-9,11H2,1-2H3
InChIKey
WKGKFWXGAHXMCE-UHFFFAOYSA-N
Compound name
2-butoxyethyl 2-(4-chloro-2-methylphenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2325
Patents

300.11282 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.12010 167.1
[M+Na]+ 323.10204 179.3
[M+NH4]+ 318.14664 173.9
[M+K]+ 339.07598 172.2
[M-H]- 299.10554 167.9
[M+Na-2H]- 321.08749 171.8
[M]+ 300.11227 169.3
[M]- 300.11337 169.3
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

patents stripe