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]+ 149.03639 126.8
[M+Na]+ 171.01833 134.9
[M-H]- 147.02183 127.4
[M+NH4]+ 166.06293 149.0
[M+K]+ 186.99227 133.5
[M+H-H2O]+ 131.02637 123.7
[M+HCOO]- 193.02731 144.2
[M+CH3COO]- 207.04296 175.1
[M+Na-2H]- 169.00378 130.0
[M]+ 148.02856 129.5
[M]- 148.02966 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.