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

2327
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 167.4
[M+Na]+ 323.10204 174.9
[M-H]- 299.10554 170.6
[M+NH4]+ 318.14664 183.9
[M+K]+ 339.07598 171.6
[M+H-H2O]+ 283.11008 161.4
[M+HCOO]- 345.11102 185.6
[M+CH3COO]- 359.12667 202.7
[M+Na-2H]- 321.08749 169.5
[M]+ 300.11227 176.8
[M]- 300.11337 176.8
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