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

6
Patents

148.02911 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 126.1
[M+Na]+ 171.018328 135.7
[M-H]- 147.021834 130.8
[M+NH4]+ 166.062933 143.4
[M+K]+ 186.992268 133.3
[M+H-H2O]+ 131.026370 121.5
[M+HCOO]- 193.027311 144.7
[M+CH3COO]- 207.042961 177.2
[M+Na-2H]- 169.003776 131.1
[M]+ 148.02856142 131.1
[M]- 148.02965858 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