CID 14269106

2-chloro-3-methoxypropionic acid

Structural Information

Molecular Formula
C4H7ClO3
SMILES
COCC(C(=O)O)Cl
InChI
InChI=1S/C4H7ClO3/c1-8-2-3(5)4(6)7/h3H,2H2,1H3,(H,6,7)
InChIKey
SSWGTERYCJZJPQ-UHFFFAOYSA-N
Compound name
2-chloro-3-methoxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

48
Patents

138.00838 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.01566 122.6
[M+Na]+ 160.99760 132.8
[M+NH4]+ 156.04220 130.0
[M+K]+ 176.97154 129.0
[M-H]- 137.00110 120.6
[M+Na-2H]- 158.98305 125.7
[M]+ 138.00783 123.5
[M]- 138.00893 123.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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