CID 583818

Methyl 4-chloro-3-methoxybut-2-enoate

Structural Information

Molecular Formula
C6H9ClO3
SMILES
COC(=CC(=O)OC)CCl
InChI
InChI=1S/C6H9ClO3/c1-9-5(4-7)3-6(8)10-2/h3H,4H2,1-2H3
InChIKey
JNYMRXDQVPIONI-UHFFFAOYSA-N
Compound name
methyl 4-chloro-3-methoxybut-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

125
Patents

164.02402 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.03130 130.5
[M+Na]+ 187.01324 141.0
[M+NH4]+ 182.05784 137.7
[M+K]+ 202.98718 136.3
[M-H]- 163.01674 128.7
[M+Na-2H]- 184.99869 133.6
[M]+ 164.02347 131.5
[M]- 164.02457 131.5
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