CID 547794

1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane

Structural Information

Molecular Formula
C8H17ClO3
SMILES
COCCOCCOCCCCl
InChI
InChI=1S/C8H17ClO3/c1-10-5-6-12-8-7-11-4-2-3-9/h2-8H2,1H3
InChIKey
RKDWGHGQWJLHRH-UHFFFAOYSA-N
Compound name
1-chloro-3-[2-(2-methoxyethoxy)ethoxy]propane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

196.08662 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.09390 141.7
[M+Na]+ 219.07584 148.8
[M-H]- 195.07934 141.4
[M+NH4]+ 214.12044 162.1
[M+K]+ 235.04978 147.3
[M+H-H2O]+ 179.08388 137.4
[M+HCOO]- 241.08482 161.1
[M+CH3COO]- 255.10047 183.1
[M+Na-2H]- 217.06129 147.4
[M]+ 196.08607 149.9
[M]- 196.08717 149.9
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

patents stripe