CID 88995943

Chloromethyl 2-cyclopropylacetate

Structural Information

Molecular Formula
C6H9ClO2
SMILES
C1CC1CC(=O)OCCl
InChI
InChI=1S/C6H9ClO2/c7-4-9-6(8)3-5-1-2-5/h5H,1-4H2
InChIKey
YCUKZZYRTRKHNB-UHFFFAOYSA-N
Compound name
chloromethyl 2-cyclopropylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

148.02911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.036386 127.0
[M+Na]+ 171.018328 136.8
[M-H]- 147.021834 131.5
[M+NH4]+ 166.062933 144.3
[M+K]+ 186.992268 134.0
[M+H-H2O]+ 131.026370 122.2
[M+HCOO]- 193.027311 146.4
[M+CH3COO]- 207.042961 176.4
[M+Na-2H]- 169.003776 133.0
[M]+ 148.02856142 132.5
[M]- 148.02965858 132.5
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