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]+ 177.104066 139.3
[M+Na]+ 199.086008 144.3
[M-H]- 175.089514 141.5
[M+NH4]+ 194.130613 160.0
[M+K]+ 215.059948 141.6
[M+H-H2O]+ 159.094050 134.3
[M+HCOO]- 221.094991 155.1
[M+CH3COO]- 235.110641 178.4
[M+Na-2H]- 197.071456 143.9
[M]+ 176.09624142 138.1
[M]- 176.09733858 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

literature stripe

Patent stripe

patents stripe