CID 83226032

2-(2-chloroethoxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C6H11ClO3
SMILES
CC(C)(C(=O)O)OCCCl
InChI
InChI=1S/C6H11ClO3/c1-6(2,5(8)9)10-4-3-7/h3-4H2,1-2H3,(H,8,9)
InChIKey
CKWWYRURKRTXQT-UHFFFAOYSA-N
Compound name
2-(2-chloroethoxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

166.03967 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.046946 131.6
[M+Na]+ 189.028888 139.7
[M-H]- 165.032394 130.9
[M+NH4]+ 184.073493 152.6
[M+K]+ 205.002828 138.0
[M+H-H2O]+ 149.036930 128.9
[M+HCOO]- 211.037871 147.9
[M+CH3COO]- 225.053521 174.5
[M+Na-2H]- 187.014336 137.4
[M]+ 166.03912142 135.4
[M]- 166.04021858 135.4
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

patents stripe