CID 123415

Methyl 2-chlorobutanoate

Structural Information

Molecular Formula
C5H9ClO2
SMILES
CCC(C(=O)OC)Cl
InChI
InChI=1S/C5H9ClO2/c1-3-4(6)5(7)8-2/h4H,3H2,1-2H3
InChIKey
BHQQXAOBIZQEGI-UHFFFAOYSA-N
Compound name
methyl 2-chlorobutanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1333
Patents

136.02911 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.03639 124.0
[M+Na]+ 159.01833 135.0
[M+NH4]+ 154.06293 132.2
[M+K]+ 174.99227 130.1
[M-H]- 135.02183 123.0
[M+Na-2H]- 157.00378 127.9
[M]+ 136.02856 125.3
[M]- 136.02966 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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