CID 46630

64046-45-3

Structural Information

Molecular Formula
C11H19ClO2
SMILES
CC(C)C1CCC(CC1)OC(=O)CCl
InChI
InChI=1S/C11H19ClO2/c1-8(2)9-3-5-10(6-4-9)14-11(13)7-12/h8-10H,3-7H2,1-2H3
InChIKey
DJFWFDVJXJZDST-UHFFFAOYSA-N
Compound name
(4-propan-2-ylcyclohexyl) 2-chloroacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.10736 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.11464 149.3
[M+Na]+ 241.09658 154.4
[M-H]- 217.10008 151.9
[M+NH4]+ 236.14118 168.7
[M+K]+ 257.07052 152.0
[M+H-H2O]+ 201.10462 144.6
[M+HCOO]- 263.10556 163.1
[M+CH3COO]- 277.12121 187.6
[M+Na-2H]- 239.08203 150.0
[M]+ 218.10681 148.9
[M]- 218.10791 148.9
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.