CID 15659586

Methyl 2-chloro-2-cyclopropylacetate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
COC(=O)C(C1CC1)Cl
InChI
InChI=1S/C6H9ClO2/c1-9-6(8)5(7)4-2-3-4/h4-5H,2-3H2,1H3
InChIKey
HHJQXFNQWRDALU-UHFFFAOYSA-N
Compound name
methyl 2-chloro-2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

148.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 126.1
[M+Na]+ 171.01833 135.7
[M-H]- 147.02183 130.8
[M+NH4]+ 166.06293 143.4
[M+K]+ 186.99227 133.3
[M+H-H2O]+ 131.02637 121.5
[M+HCOO]- 193.02731 144.7
[M+CH3COO]- 207.04296 177.2
[M+Na-2H]- 169.00378 131.1
[M]+ 148.02856 131.1
[M]- 148.02966 131.1
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