CID 43135609

1-(2-chloroethoxy)-2-methylcyclohexane

Structural Information

Molecular Formula
C9H17ClO
SMILES
CC1CCCCC1OCCCl
InChI
InChI=1S/C9H17ClO/c1-8-4-2-3-5-9(8)11-7-6-10/h8-9H,2-7H2,1H3
InChIKey
QVPLQHPIDIZPJB-UHFFFAOYSA-N
Compound name
1-(2-chloroethoxy)-2-methylcyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09679 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10407 138.7
[M+Na]+ 199.08601 144.7
[M-H]- 175.08951 141.3
[M+NH4]+ 194.13061 159.8
[M+K]+ 215.05995 142.0
[M+H-H2O]+ 159.09405 134.1
[M+HCOO]- 221.09499 154.5
[M+CH3COO]- 235.11064 179.5
[M+Na-2H]- 197.07146 142.7
[M]+ 176.09624 138.0
[M]- 176.09734 138.0
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.