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

2
Patents

166.03967 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.04695 131.6
[M+Na]+ 189.02889 139.7
[M-H]- 165.03239 130.9
[M+NH4]+ 184.07349 152.6
[M+K]+ 205.00283 138.0
[M+H-H2O]+ 149.03693 128.9
[M+HCOO]- 211.03787 147.9
[M+CH3COO]- 225.05352 174.5
[M+Na-2H]- 187.01434 137.4
[M]+ 166.03912 135.4
[M]- 166.04022 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