CID 24688515

(3-chloropropoxy)cyclohexane

Structural Information

Molecular Formula
C9H17ClO
SMILES
C1CCC(CC1)OCCCCl
InChI
InChI=1S/C9H17ClO/c10-7-4-8-11-9-5-2-1-3-6-9/h9H,1-8H2
InChIKey
XUPYLBDRWQBBOC-UHFFFAOYSA-N
Compound name
3-chloropropoxycyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

176.09679 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10407 139.3
[M+Na]+ 199.08601 144.3
[M-H]- 175.08951 141.5
[M+NH4]+ 194.13061 160.0
[M+K]+ 215.05995 141.6
[M+H-H2O]+ 159.09405 134.3
[M+HCOO]- 221.09499 155.1
[M+CH3COO]- 235.11064 178.4
[M+Na-2H]- 197.07146 143.9
[M]+ 176.09624 138.1
[M]- 176.09734 138.1
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.