CID 101634971

Methyl 2-chloro-3-methylbut-3-enoate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
CC(=C)C(C(=O)OC)Cl
InChI
InChI=1S/C6H9ClO2/c1-4(2)5(7)6(8)9-3/h5H,1H2,2-3H3
InChIKey
FZUVHZZZCYKCFI-UHFFFAOYSA-N
Compound name
methyl 2-chloro-3-methylbut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

148.02911 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 126.8
[M+Na]+ 171.018328 134.9
[M-H]- 147.021834 127.4
[M+NH4]+ 166.062933 149.0
[M+K]+ 186.992268 133.5
[M+H-H2O]+ 131.026370 123.7
[M+HCOO]- 193.027311 144.2
[M+CH3COO]- 207.042961 175.1
[M+Na-2H]- 169.003776 130.0
[M]+ 148.02856142 129.5
[M]- 148.02965858 129.5
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

No patent data available for this compound.