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

31
Patents

148.02911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.03639 127.0
[M+Na]+ 171.01833 136.8
[M-H]- 147.02183 131.5
[M+NH4]+ 166.06293 144.3
[M+K]+ 186.99227 134.0
[M+H-H2O]+ 131.02637 122.2
[M+HCOO]- 193.02731 146.4
[M+CH3COO]- 207.04296 176.4
[M+Na-2H]- 169.00378 133.0
[M]+ 148.02856 132.5
[M]- 148.02966 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