CID 54594276

(2-chloroethoxy)cycloheptane

Structural Information

Molecular Formula
C9H17ClO
SMILES
C1CCCC(CC1)OCCCl
InChI
InChI=1S/C9H17ClO/c10-7-8-11-9-5-3-1-2-4-6-9/h9H,1-8H2
InChIKey
YRYYDIGNLDTVIY-UHFFFAOYSA-N
Compound name
2-chloroethoxycycloheptane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.09679 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.10407 133.5
[M+Na]+ 199.08601 137.3
[M-H]- 175.08951 136.6
[M+NH4]+ 194.13061 152.9
[M+K]+ 215.05995 138.8
[M+H-H2O]+ 159.09405 128.9
[M+HCOO]- 221.09499 149.0
[M+CH3COO]- 235.11064 180.5
[M+Na-2H]- 197.07146 138.2
[M]+ 176.09624 129.2
[M]- 176.09734 129.2
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.