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]+ 177.104066 138.7
[M+Na]+ 199.086008 144.7
[M-H]- 175.089514 141.3
[M+NH4]+ 194.130613 159.8
[M+K]+ 215.059948 142.0
[M+H-H2O]+ 159.094050 134.1
[M+HCOO]- 221.094991 154.5
[M+CH3COO]- 235.110641 179.5
[M+Na-2H]- 197.071456 142.7
[M]+ 176.09624142 138.0
[M]- 176.09733858 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.