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]+ 219.114636 149.3
[M+Na]+ 241.096578 154.4
[M-H]- 217.100084 151.9
[M+NH4]+ 236.141183 168.7
[M+K]+ 257.070518 152.0
[M+H-H2O]+ 201.104620 144.6
[M+HCOO]- 263.105561 163.1
[M+CH3COO]- 277.121211 187.6
[M+Na-2H]- 239.082026 150.0
[M]+ 218.10681142 148.9
[M]- 218.10790858 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.